1-cyclohexyl-N-(1,2-oxazol-4-ylmethyl)propan-1-amine

C13H22N2O — CID 62405925

IUPAC1-cyclohexyl-N-(1,2-oxazol-4-ylmethyl)propan-1-amine
SMILESCCC(NCc1cnoc1)C1CCCCC1
InChIInChI=1S/C13H22N2O/c1-2-13(12-6-4-3-5-7-12)14-8-11-9-15-16-10-11/h9-10,12-14H,2-8H2,1H3
InChIKeyLABAKRZFTOYJKD-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.12
Rot. Bonds5

About 1-cyclohexyl-N-(1,2-oxazol-4-ylmethyl)propan-1-amine

1-cyclohexyl-N-(1,2-oxazol-4-ylmethyl)propan-1-amine (PubChem CID 62405925) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 1-cyclohexyl-N-(1,2-oxazol-4-ylmethyl)propan-1-amine.

Molecular Properties

Compound Name1-cyclohexyl-N-(1,2-oxazol-4-ylmethyl)propan-1-amine
PubChem CID62405925
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name1-cyclohexyl-N-(1,2-oxazol-4-ylmethyl)propan-1-amine
SMILESCCC(NCc1cnoc1)C1CCCCC1
InChIInChI=1S/C13H22N2O/c1-2-13(12-6-4-3-5-7-12)14-8-11-9-15-16-10-11/h9-10,12-14H,2-8H2,1H3
InChIKeyLABAKRZFTOYJKD-UHFFFAOYSA-N
XLogP3.12
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-cyclohexyl-N-(1,2-oxazol-4-ylmethyl)propan-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 1-cyclohexyl-N-(1,2-oxazol-4-ylmethyl)propan-1-amine?
The IUPAC name of 1-cyclohexyl-N-(1,2-oxazol-4-ylmethyl)propan-1-amine (CID 62405925) is 1-cyclohexyl-N-(1,2-oxazol-4-ylmethyl)propan-1-amine.
What is the SMILES notation for 1-cyclohexyl-N-(1,2-oxazol-4-ylmethyl)propan-1-amine?
The canonical SMILES for 1-cyclohexyl-N-(1,2-oxazol-4-ylmethyl)propan-1-amine is CCC(NCc1cnoc1)C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-N-(1,2-oxazol-4-ylmethyl)propan-1-amine?
The InChIKey is LABAKRZFTOYJKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-2-13(12-6-4-3-5-7-12)14-8-11-9-15-16-10-11/h9-10,12-14H,2-8H2,1H3.
What are the key properties of 1-cyclohexyl-N-(1,2-oxazol-4-ylmethyl)propan-1-amine?
1-cyclohexyl-N-(1,2-oxazol-4-ylmethyl)propan-1-amine has a molecular weight of 222.33 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-N-(1,2-oxazol-4-ylmethyl)propan-1-amine is sourced from PubChem (CID 62405925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).