N-(3-methylbutyl)-1,2-oxazole-3-carboxamide

C9H14N2O2 — CID 110693766

IUPACN-(3-methylbutyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)CCNC(=O)c1ccon1
InChIInChI=1S/C9H14N2O2/c1-7(2)3-5-10-9(12)8-4-6-13-11-8/h4,6-7H,3,5H2,1-2H3,(H,10,12)
InChIKeyIJJYGZULKJTBPM-UHFFFAOYSA-N
MW182.22 g/mol
LogP1.45
Rot. Bonds4

About N-(3-methylbutyl)-1,2-oxazole-3-carboxamide

N-(3-methylbutyl)-1,2-oxazole-3-carboxamide (PubChem CID 110693766) has the molecular formula C9H14N2O2 and a molecular weight of 182.22 g/mol. Its IUPAC name is N-(3-methylbutyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-methylbutyl)-1,2-oxazole-3-carboxamide
PubChem CID110693766
Molecular FormulaC9H14N2O2
Molecular Weight182.22 g/mol
Exact Mass182.11
IUPAC NameN-(3-methylbutyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)CCNC(=O)c1ccon1
InChIInChI=1S/C9H14N2O2/c1-7(2)3-5-10-9(12)8-4-6-13-11-8/h4,6-7H,3,5H2,1-2H3,(H,10,12)
InChIKeyIJJYGZULKJTBPM-UHFFFAOYSA-N
XLogP1.45
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-(3-methylbutyl)-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

Frequently Asked Questions

What is the IUPAC name of N-(3-methylbutyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-methylbutyl)-1,2-oxazole-3-carboxamide (CID 110693766) is N-(3-methylbutyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-methylbutyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-methylbutyl)-1,2-oxazole-3-carboxamide is CC(C)CCNC(=O)c1ccon1.
What is the InChIKey of N-(3-methylbutyl)-1,2-oxazole-3-carboxamide?
The InChIKey is IJJYGZULKJTBPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O2/c1-7(2)3-5-10-9(12)8-4-6-13-11-8/h4,6-7H,3,5H2,1-2H3,(H,10,12).
What are the key properties of N-(3-methylbutyl)-1,2-oxazole-3-carboxamide?
N-(3-methylbutyl)-1,2-oxazole-3-carboxamide has a molecular weight of 182.22 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-methylbutyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 110693766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).