N-(4-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide

C13H14N2O2 — CID 58591853

IUPACN-(4-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2ccno2)cc1
InChIInChI=1S/C13H14N2O2/c1-9(2)10-3-5-11(6-4-10)15-13(16)12-7-8-14-17-12/h3-9H,1-2H3,(H,15,16)
InChIKeyZYVLTKMPOZUANS-UHFFFAOYSA-N
MW230.27 g/mol
LogP3.05
Rot. Bonds3

About N-(4-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide

N-(4-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide (PubChem CID 58591853) has the molecular formula C13H14N2O2 and a molecular weight of 230.27 g/mol. Its IUPAC name is N-(4-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide
PubChem CID58591853
Molecular FormulaC13H14N2O2
Molecular Weight230.27 g/mol
Exact Mass230.11
IUPAC NameN-(4-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide
SMILESCC(C)c1ccc(NC(=O)c2ccno2)cc1
InChIInChI=1S/C13H14N2O2/c1-9(2)10-3-5-11(6-4-10)15-13(16)12-7-8-14-17-12/h3-9H,1-2H3,(H,15,16)
InChIKeyZYVLTKMPOZUANS-UHFFFAOYSA-N
XLogP3.05
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.27
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(4-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(4-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(4-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide (CID 58591853) is N-(4-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(4-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(4-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide is CC(C)c1ccc(NC(=O)c2ccno2)cc1.
What is the InChIKey of N-(4-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide?
The InChIKey is ZYVLTKMPOZUANS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2/c1-9(2)10-3-5-11(6-4-10)15-13(16)12-7-8-14-17-12/h3-9H,1-2H3,(H,15,16).
What are the key properties of N-(4-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide?
N-(4-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide has a molecular weight of 230.27 g/mol, XLogP of 3.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-propan-2-ylphenyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 58591853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).