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885660-33-3 | N-(2-cyanophenyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CAS No: 885660-33-3 Catalog No: AG00IX7W MDL No:MFCD00170564
Product Description
Catalog Number:
AG00IX7W
Chemical Name:
N-(2-cyanophenyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CAS Number:
885660-33-3
Molecular Formula:
C18H11Cl2N3O2
Molecular Weight:
372.2048
MDL Number:
MFCD00170564
IUPAC Name:
N-(2-cyanophenyl)-3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
InChI:
InChI=1S/C18H11Cl2N3O2/c1-10-15(18(24)22-14-8-3-2-5-11(14)9-21)17(23-25-10)16-12(19)6-4-7-13(16)20/h2-8H,1H3,(H,22,24)
InChI Key:
QRJMCXFISFQYCC-UHFFFAOYSA-N
SMILES:
N#Cc1ccccc1NC(=O)c1c(C)onc1c1c(Cl)cccc1Cl
Properties
Complexity:
528
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
371.023g/mol
Formal Charge:
0
Heavy Atom Count:
25
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
372.205g/mol
Monoisotopic Mass:
371.023g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
4.8
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