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861212-51-3 | N-(4-cyano-3-methyl-1,2-oxazol-5-yl)-3-methylbenzamide
CAS No: 861212-51-3 Catalog No: AG00IT1D MDL No:MFCD04125132
Product Description
Catalog Number:
AG00IT1D
Chemical Name:
N-(4-cyano-3-methyl-1,2-oxazol-5-yl)-3-methylbenzamide
CAS Number:
861212-51-3
Molecular Formula:
C13H11N3O2
Molecular Weight:
241.2453
MDL Number:
MFCD04125132
IUPAC Name:
N-(4-cyano-3-methyl-1,2-oxazol-5-yl)-3-methylbenzamide
InChI:
InChI=1S/C13H11N3O2/c1-8-4-3-5-10(6-8)12(17)15-13-11(7-14)9(2)16-18-13/h3-6H,1-2H3,(H,15,17)
InChI Key:
LGSXPKZWTNZVBV-UHFFFAOYSA-N
SMILES:
N#Cc1c(C)noc1NC(=O)c1cccc(c1)C
Properties
Complexity:
363
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
241.085g/mol
Formal Charge:
0
Heavy Atom Count:
18
Hydrogen Bond Acceptor Count:
4
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
241.25g/mol
Monoisotopic Mass:
241.085g/mol
Rotatable Bond Count:
2
Topological Polar Surface Area:
78.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.6
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