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

C13H11N3O2 — CID 46246331

IUPACN-(4-cyanophenyl)-5-ethyl-1,2-oxazole-3-carboxamide
SMILESCCc1cc(C(=O)Nc2ccc(C#N)cc2)no1
InChIInChI=1S/C13H11N3O2/c1-2-11-7-12(16-18-11)13(17)15-10-5-3-9(8-14)4-6-10/h3-7H,2H2,1H3,(H,15,17)
InChIKeyNPCGGWOWFNQCBN-UHFFFAOYSA-N
MW241.25 g/mol
LogP2.36
Rot. Bonds3

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

N-(4-cyanophenyl)-5-ethyl-1,2-oxazole-3-carboxamide (PubChem CID 46246331) has the molecular formula C13H11N3O2 and a molecular weight of 241.25 g/mol. Its IUPAC name is N-(4-cyanophenyl)-5-ethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-cyanophenyl)-5-ethyl-1,2-oxazole-3-carboxamide
PubChem CID46246331
Molecular FormulaC13H11N3O2
Molecular Weight241.25 g/mol
Exact Mass241.09
IUPAC NameN-(4-cyanophenyl)-5-ethyl-1,2-oxazole-3-carboxamide
SMILESCCc1cc(C(=O)Nc2ccc(C#N)cc2)no1
InChIInChI=1S/C13H11N3O2/c1-2-11-7-12(16-18-11)13(17)15-10-5-3-9(8-14)4-6-10/h3-7H,2H2,1H3,(H,15,17)
InChIKeyNPCGGWOWFNQCBN-UHFFFAOYSA-N
XLogP2.36
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.25
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(4-cyanophenyl)-5-ethyl-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-cyanophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)propanediamide
CID 108956954
N-(4-methylphenyl)-5-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 17253347
N-(4-bromophenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66158532
4-N-(4-cyanophenyl)-2-N-(2,6-diethylphenyl)pyridine-2,4-dicarboxamide
CID 109092546
N-(4-cyanophenyl)-5-[4-(diaminomethylideneamino)phenyl]-1,2-oxazole-3-carboxamide;hydrochloride
CID 90644254
3-[(4-ethylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369156
N-(4-cyanophenyl)-2-(dipropylamino)-6-methylpyrimidine-4-carboxamide
CID 109334197
N-(4-cyanophenyl)-5-(propylamino)pyrazine-2-carboxamide
CID 109271147
N-(4-cyanophenyl)-6-(dipropylamino)pyridazine-3-carboxamide
CID 109126210
6-(4-cyanoanilino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109359086
4-(4-cyanoanilino)-N-[4-(diethylamino)phenyl]pyridine-2-carboxamide
CID 109222360
6-(butan-2-ylamino)-N-(4-cyanophenyl)pyridazine-3-carboxamide
CID 109111531

Frequently Asked Questions

What is the IUPAC name of N-(4-cyanophenyl)-5-ethyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-cyanophenyl)-5-ethyl-1,2-oxazole-3-carboxamide (CID 46246331) is N-(4-cyanophenyl)-5-ethyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-cyanophenyl)-5-ethyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-cyanophenyl)-5-ethyl-1,2-oxazole-3-carboxamide is CCc1cc(C(=O)Nc2ccc(C#N)cc2)no1.
What is the InChIKey of N-(4-cyanophenyl)-5-ethyl-1,2-oxazole-3-carboxamide?
The InChIKey is NPCGGWOWFNQCBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O2/c1-2-11-7-12(16-18-11)13(17)15-10-5-3-9(8-14)4-6-10/h3-7H,2H2,1H3,(H,15,17).
What are the key properties of N-(4-cyanophenyl)-5-ethyl-1,2-oxazole-3-carboxamide?
N-(4-cyanophenyl)-5-ethyl-1,2-oxazole-3-carboxamide has a molecular weight of 241.25 g/mol, XLogP of 2.36, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyanophenyl)-5-ethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 46246331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).