N-(2-cyanophenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide

C13H11N3O2 — CID 110864656

IUPACN-(2-cyanophenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)Nc2ccccc2C#N)c1C
InChIInChI=1S/C13H11N3O2/c1-8-9(2)18-16-12(8)13(17)15-11-6-4-3-5-10(11)7-14/h3-6H,1-2H3,(H,15,17)
InChIKeyDPCWYWHHLQCWFZ-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.42
Rot. Bonds2

About N-(2-cyanophenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide

N-(2-cyanophenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide (PubChem CID 110864656) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is N-(2-cyanophenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-cyanophenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide
PubChem CID110864656
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC NameN-(2-cyanophenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide
SMILESCc1onc(C(=O)Nc2ccccc2C#N)c1C
InChIInChI=1S/C13H11N3O2/c1-8-9(2)18-16-12(8)13(17)15-11-6-4-3-5-10(11)7-14/h3-6H,1-2H3,(H,15,17)
InChIKeyDPCWYWHHLQCWFZ-UHFFFAOYSA-N
XLogP2.42
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dimethyl-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 110860744
3-N-(2-cyanophenyl)-5-N-(5-methyl-1,2-oxazol-3-yl)pyridine-3,5-dicarboxamide
CID 109109071
N-(2-cyanophenyl)-4-methylbenzamide
CID 2542047
3-[(2-cyanophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369142
N-(2-cyanophenyl)-1,2,5-oxadiazole-3-carboxamide
CID 84579053
N-(2,4-difluorophenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide
CID 17026519
N-(2-cyanophenyl)thiadiazole-4-carboxamide
CID 65214777
N-(2-cyanophenyl)-2-methyl-1,3-thiazole-5-carboxamide
CID 110864602
(2-cyanophenyl)urea
CID 13155570
1-(2-cyanophenyl)-3-(2,6-dimethylphenyl)urea
CID 108991418
6-amino-3-chloro-N-(2-cyanophenyl)pyridine-2-carboxamide
CID 62155906
N-(2-cyanophenyl)-2-methyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 110864734

Frequently Asked Questions

What is the IUPAC name of N-(2-cyanophenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-cyanophenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide (CID 110864656) is N-(2-cyanophenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-cyanophenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-cyanophenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide is Cc1onc(C(=O)Nc2ccccc2C#N)c1C.
What is the InChIKey of N-(2-cyanophenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide?
The InChIKey is DPCWYWHHLQCWFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-8-9(2)18-16-12(8)13(17)15-11-6-4-3-5-10(11)7-14/h3-6H,1-2H3,(H,15,17).
What are the key properties of N-(2-cyanophenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide?
N-(2-cyanophenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide has a molecular weight of 241.25 g/mol, XLogP of 2.42, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyanophenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 110864656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).