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61931-68-8,MFCD00005772
Catalog No.:AA003HL3
61931-68-8 | 2-Methyl-5-phenylbenzo[d]oxazole
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  • Technical Information
  • Properties
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Technical Information
Catalog Number:
AA003HL3
Chemical Name:
2-Methyl-5-phenylbenzo[d]oxazole
CAS Number:
61931-68-8
Molecular Formula:
C14H11NO
Molecular Weight:
209.2432
MDL Number:
MFCD00005772
IUPAC Name:
2-methyl-5-phenyl-1,3-benzoxazole
InChI:
InChI=1S/C14H11NO/c1-10-15-13-9-12(7-8-14(13)16-10)11-5-3-2-4-6-11/h2-9H,1H3
InChI Key:
CHZDPBVCBBQQRP-UHFFFAOYSA-N
SMILES:
Cc1oc2c(n1)cc(cc2)c1ccccc1
EC Number:
263-330-6
Properties
Computed Properties
 
Complexity:
237  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
209.084g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
2  
Hydrogen Bond Donor Count:
0
Isotope Atom Count:
0
Molecular Weight:
209.248g/mol
Monoisotopic Mass:
209.084g/mol
Rotatable Bond Count:
1  
Topological Polar Surface Area:
26A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.8  

Synonyms
 
2-Methyl-5-phenylbenzoxazole 
61931-68-8 
PubChem8655 
AC1L3C0O 
ACMC-1B9I5 
CBDivE_002222 
MLS000052992 
2-methyl-5-phenylbenzooxazole 
2-Methyl-5-phenyl-benzoxazole 
AC1Q4W63 
SCHEMBL1634416 
Benzoxazole,2-methyl-5-phenyl- 
2-Methyl-5-phenylbenzo[d]oxazole 
CHEMBL1612963 
DTXSID6069531 
CTK5B4052 
HMS2386E22 
ZINC119958 
KS-000016PT 
2-Methyl-5-phenylbenzoxazole, 97% 
ANW-34000 
MFCD00005772 
SBB042413 
Benzoxazole, 2-methyl-5-phenyl- 
STK792956 
AKOS000120138 
MCULE-4402791826 
TRA0064091 
2-Methyl-5-phenyl-1,3-benzoxazole # 
AC-19516 
AJ-11639 
AN-39217 
BAS 00481250 
CC-11437 
2-Methyl-5-phenyl-1,3-benzoxazole 
LS-42209 
SMR000068948 
ZB004045 
AX8077076 
BC4134511 
TC-122745 
FT-0612989 
M1244 
ST50135387 
931M688 
2-Methyl-5-phenyl-benzooxazole 
C-30396 
SR-01000414405 
SR-01000414405-1 
InChI=1/C14H11NO/c1-10-15-13-9-12(7-8-14(13)16-10)11-5-3-2-4-6-11/h2-9H,1H 
C14H11NO 
C14-H11-N-O 
AR-1E3763 
CID112786 
ZINC00119958 
2-Methyl-5-phenylbenzoxazole, 99% - 25G 25g 
EINECS 263-330-6 
6312-27-2 
2-methyl-5-phenyl benzoxazole 
CHZDPBVCBBQQRP-UHFFFAOYSA-N 
W-105075 
Literature

Title: Study on cytochrome p-450 dependent retinoic Acid metabolism and its inhibitors as potential agents for cancer therapy.

Journal: Scientia pharmaceutica 20110101

Title: Microsphere-based protease assays and screening application for lethal factor and factor Xa.

Journal: Cytometry. Part A : the journal of the International Society for Analytical Cytology 20060501

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