4-(1,2-oxazol-3-yl)butan-1-amine

C7H12N2O — CID 22024725

IUPAC4-(1,2-oxazol-3-yl)butan-1-amine
SMILESNCCCCc1ccon1
InChIInChI=1S/C7H12N2O/c8-5-2-1-3-7-4-6-10-9-7/h4,6H,1-3,5,8H2
InChIKeyOIJSGMMFASXNQC-UHFFFAOYSA-N
MW140.19 g/mol
LogP0.96
Rot. Bonds4

About 4-(1,2-oxazol-3-yl)butan-1-amine

4-(1,2-oxazol-3-yl)butan-1-amine (PubChem CID 22024725) has the molecular formula C7H12N2O and a molecular weight of 140.19 g/mol. Its IUPAC name is 4-(1,2-oxazol-3-yl)butan-1-amine.

Molecular Properties

Compound Name4-(1,2-oxazol-3-yl)butan-1-amine
PubChem CID22024725
Molecular FormulaC7H12N2O
Molecular Weight140.19 g/mol
Exact Mass140.09
IUPAC Name4-(1,2-oxazol-3-yl)butan-1-amine
SMILESNCCCCc1ccon1
InChIInChI=1S/C7H12N2O/c8-5-2-1-3-7-4-6-10-9-7/h4,6H,1-3,5,8H2
InChIKeyOIJSGMMFASXNQC-UHFFFAOYSA-N
XLogP0.96
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.19
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 4-(1,2-oxazol-3-yl)butan-1-amine 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 4-(1,2-oxazol-3-yl)butan-1-amine?
The IUPAC name of 4-(1,2-oxazol-3-yl)butan-1-amine (CID 22024725) is 4-(1,2-oxazol-3-yl)butan-1-amine.
What is the SMILES notation for 4-(1,2-oxazol-3-yl)butan-1-amine?
The canonical SMILES for 4-(1,2-oxazol-3-yl)butan-1-amine is NCCCCc1ccon1.
What is the InChIKey of 4-(1,2-oxazol-3-yl)butan-1-amine?
The InChIKey is OIJSGMMFASXNQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2O/c8-5-2-1-3-7-4-6-10-9-7/h4,6H,1-3,5,8H2.
What are the key properties of 4-(1,2-oxazol-3-yl)butan-1-amine?
4-(1,2-oxazol-3-yl)butan-1-amine has a molecular weight of 140.19 g/mol, XLogP of 0.96, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2-oxazol-3-yl)butan-1-amine is sourced from PubChem (CID 22024725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).