N-[(3-cyanophenyl)methyl]-1,2-oxazole-3-carboxamide

C12H9N3O2 — CID 55037800

IUPACN-[(3-cyanophenyl)methyl]-1,2-oxazole-3-carboxamide
SMILESN#Cc1cccc(CNC(=O)c2ccon2)c1
InChIInChI=1S/C12H9N3O2/c13-7-9-2-1-3-10(6-9)8-14-12(16)11-4-5-17-15-11/h1-6H,8H2,(H,14,16)
InChIKeyUWULBHRKZMYIPV-UHFFFAOYSA-N
MW227.22 g/mol
LogP1.48
Rot. Bonds3

About N-[(3-cyanophenyl)methyl]-1,2-oxazole-3-carboxamide

N-[(3-cyanophenyl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 55037800) has the molecular formula C12H9N3O2 and a molecular weight of 227.22 g/mol. Its IUPAC name is N-[(3-cyanophenyl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(3-cyanophenyl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID55037800
Molecular FormulaC12H9N3O2
Molecular Weight227.22 g/mol
Exact Mass227.07
IUPAC NameN-[(3-cyanophenyl)methyl]-1,2-oxazole-3-carboxamide
SMILESN#Cc1cccc(CNC(=O)c2ccon2)c1
InChIInChI=1S/C12H9N3O2/c13-7-9-2-1-3-10(6-9)8-14-12(16)11-4-5-17-15-11/h1-6H,8H2,(H,14,16)
InChIKeyUWULBHRKZMYIPV-UHFFFAOYSA-N
XLogP1.48
TPSA78.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.22
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(3-cyanophenyl)methyl]-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-[(3-cyanophenyl)methyl]-2H-triazole-4-carboxamide
CID 47338495
2-amino-N-[(3-cyanophenyl)methyl]-1,3-thiazole-4-carboxamide
CID 55115826
N-[(3-cyanophenyl)methyl]cyclopentanecarboxamide
CID 47161592
3,5-diamino-N-[(3-cyanophenyl)methyl]benzamide
CID 61103321
N-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide
CID 144967801
N-[(3-cyanophenyl)methyl]-4-sulfanylbenzamide
CID 107028201
N-[(3-cyanophenyl)methyl]-5-methylfuran-3-carboxamide
CID 114820614
1-[(3-cyanophenyl)methyl]-3-propan-2-ylurea
CID 47186523
1-[(3-cyanophenyl)methyl]-3-(furan-2-ylmethyl)urea
CID 47177058
N-[(3-cyanophenyl)methyl]-2,6-dimethylpyridine-3-carboxamide
CID 47283577
N-benzyl-4-(3-cyanoanilino)pyridine-2-carboxamide
CID 109209757
N-[(3-cyanophenyl)methyl]butanamide
CID 47161651

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyanophenyl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(3-cyanophenyl)methyl]-1,2-oxazole-3-carboxamide (CID 55037800) is N-[(3-cyanophenyl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(3-cyanophenyl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(3-cyanophenyl)methyl]-1,2-oxazole-3-carboxamide is N#Cc1cccc(CNC(=O)c2ccon2)c1.
What is the InChIKey of N-[(3-cyanophenyl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is UWULBHRKZMYIPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O2/c13-7-9-2-1-3-10(6-9)8-14-12(16)11-4-5-17-15-11/h1-6H,8H2,(H,14,16).
What are the key properties of N-[(3-cyanophenyl)methyl]-1,2-oxazole-3-carboxamide?
N-[(3-cyanophenyl)methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 227.22 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyanophenyl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 55037800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).