3-N-(1,2-oxazol-5-ylmethyl)cyclopentane-1,3-diamine

C9H15N3O — CID 106415423

IUPAC3-N-(1,2-oxazol-5-ylmethyl)cyclopentane-1,3-diamine
SMILESNC1CCC(NCc2ccno2)C1
InChIInChI=1S/C9H15N3O/c10-7-1-2-8(5-7)11-6-9-3-4-12-13-9/h3-4,7-8,11H,1-2,5-6,10H2
InChIKeyXUOIVEANOZBEPY-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.64
Rot. Bonds3

About 3-N-(1,2-oxazol-5-ylmethyl)cyclopentane-1,3-diamine

3-N-(1,2-oxazol-5-ylmethyl)cyclopentane-1,3-diamine (PubChem CID 106415423) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 3-N-(1,2-oxazol-5-ylmethyl)cyclopentane-1,3-diamine.

Molecular Properties

Compound Name3-N-(1,2-oxazol-5-ylmethyl)cyclopentane-1,3-diamine
PubChem CID106415423
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name3-N-(1,2-oxazol-5-ylmethyl)cyclopentane-1,3-diamine
SMILESNC1CCC(NCc2ccno2)C1
InChIInChI=1S/C9H15N3O/c10-7-1-2-8(5-7)11-6-9-3-4-12-13-9/h3-4,7-8,11H,1-2,5-6,10H2
InChIKeyXUOIVEANOZBEPY-UHFFFAOYSA-N
XLogP0.64
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-N-(1,2-oxazol-5-ylmethyl)cyclopentane-1,3-diamine 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 3-N-(1,2-oxazol-5-ylmethyl)cyclopentane-1,3-diamine?
The IUPAC name of 3-N-(1,2-oxazol-5-ylmethyl)cyclopentane-1,3-diamine (CID 106415423) is 3-N-(1,2-oxazol-5-ylmethyl)cyclopentane-1,3-diamine.
What is the SMILES notation for 3-N-(1,2-oxazol-5-ylmethyl)cyclopentane-1,3-diamine?
The canonical SMILES for 3-N-(1,2-oxazol-5-ylmethyl)cyclopentane-1,3-diamine is NC1CCC(NCc2ccno2)C1.
What is the InChIKey of 3-N-(1,2-oxazol-5-ylmethyl)cyclopentane-1,3-diamine?
The InChIKey is XUOIVEANOZBEPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c10-7-1-2-8(5-7)11-6-9-3-4-12-13-9/h3-4,7-8,11H,1-2,5-6,10H2.
What are the key properties of 3-N-(1,2-oxazol-5-ylmethyl)cyclopentane-1,3-diamine?
3-N-(1,2-oxazol-5-ylmethyl)cyclopentane-1,3-diamine has a molecular weight of 181.24 g/mol, XLogP of 0.64, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(1,2-oxazol-5-ylmethyl)cyclopentane-1,3-diamine is sourced from PubChem (CID 106415423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).