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519050-46-5 | 3-(2-chlorophenyl)-N-(3-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CAS No: 519050-46-5 Catalog No: AG00IX1M MDL No:MFCD00245275
Product Description
Catalog Number:
AG00IX1M
Chemical Name:
3-(2-chlorophenyl)-N-(3-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CAS Number:
519050-46-5
Molecular Formula:
C18H12ClN3O2
Molecular Weight:
337.7598
MDL Number:
MFCD00245275
IUPAC Name:
3-(2-chlorophenyl)-N-(3-cyanophenyl)-5-methyl-1,2-oxazole-4-carboxamide
InChI:
InChI=1S/C18H12ClN3O2/c1-11-16(17(22-24-11)14-7-2-3-8-15(14)19)18(23)21-13-6-4-5-12(9-13)10-20/h2-9H,1H3,(H,21,23)
InChI Key:
BUCUCXYWWOKADW-UHFFFAOYSA-N
SMILES:
N#Cc1cccc(c1)NC(=O)c1c(C)onc1c1ccccc1Cl
Properties
Complexity:
506
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
337.062g/mol
Formal Charge:
0
Heavy Atom Count:
24
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
337.763g/mol
Monoisotopic Mass:
337.062g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
3.6
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