3-[5-(cyclohexylmethyl)-1,3-oxazol-2-yl]propan-1-amine

C13H22N2O — CID 65178606

IUPAC3-[5-(cyclohexylmethyl)-1,3-oxazol-2-yl]propan-1-amine
SMILESNCCCc1ncc(CC2CCCCC2)o1
InChIInChI=1S/C13H22N2O/c14-8-4-7-13-15-10-12(16-13)9-11-5-2-1-3-6-11/h10-11H,1-9,14H2
InChIKeyRICSGUVBBVVVBF-UHFFFAOYSA-N
MW222.33 g/mol
LogP2.69
Rot. Bonds5

About 3-[5-(cyclohexylmethyl)-1,3-oxazol-2-yl]propan-1-amine

3-[5-(cyclohexylmethyl)-1,3-oxazol-2-yl]propan-1-amine (PubChem CID 65178606) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 3-[5-(cyclohexylmethyl)-1,3-oxazol-2-yl]propan-1-amine.

Molecular Properties

Compound Name3-[5-(cyclohexylmethyl)-1,3-oxazol-2-yl]propan-1-amine
PubChem CID65178606
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name3-[5-(cyclohexylmethyl)-1,3-oxazol-2-yl]propan-1-amine
SMILESNCCCc1ncc(CC2CCCCC2)o1
InChIInChI=1S/C13H22N2O/c14-8-4-7-13-15-10-12(16-13)9-11-5-2-1-3-6-11/h10-11H,1-9,14H2
InChIKeyRICSGUVBBVVVBF-UHFFFAOYSA-N
XLogP2.69
TPSA52.05 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 ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-[5-(cyclohexylmethyl)-1,3-oxazol-2-yl]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 3-[5-(cyclohexylmethyl)-1,3-oxazol-2-yl]propan-1-amine?
The IUPAC name of 3-[5-(cyclohexylmethyl)-1,3-oxazol-2-yl]propan-1-amine (CID 65178606) is 3-[5-(cyclohexylmethyl)-1,3-oxazol-2-yl]propan-1-amine.
What is the SMILES notation for 3-[5-(cyclohexylmethyl)-1,3-oxazol-2-yl]propan-1-amine?
The canonical SMILES for 3-[5-(cyclohexylmethyl)-1,3-oxazol-2-yl]propan-1-amine is NCCCc1ncc(CC2CCCCC2)o1.
What is the InChIKey of 3-[5-(cyclohexylmethyl)-1,3-oxazol-2-yl]propan-1-amine?
The InChIKey is RICSGUVBBVVVBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c14-8-4-7-13-15-10-12(16-13)9-11-5-2-1-3-6-11/h10-11H,1-9,14H2.
What are the key properties of 3-[5-(cyclohexylmethyl)-1,3-oxazol-2-yl]propan-1-amine?
3-[5-(cyclohexylmethyl)-1,3-oxazol-2-yl]propan-1-amine has a molecular weight of 222.33 g/mol, XLogP of 2.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(cyclohexylmethyl)-1,3-oxazol-2-yl]propan-1-amine is sourced from PubChem (CID 65178606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).