5-(cyclohexylmethyl)-4-phenyl-1,2-oxazol-3-amine

C16H20N2O — CID 66198710

IUPAC5-(cyclohexylmethyl)-4-phenyl-1,2-oxazol-3-amine
SMILESNc1noc(CC2CCCCC2)c1-c1ccccc1
InChIInChI=1S/C16H20N2O/c17-16-15(13-9-5-2-6-10-13)14(19-18-16)11-12-7-3-1-4-8-12/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H2,17,18)
InChIKeyRXOFBHYMEFQZBC-UHFFFAOYSA-N
MW256.35 g/mol
LogP4.05
Rot. Bonds3

About 5-(cyclohexylmethyl)-4-phenyl-1,2-oxazol-3-amine

5-(cyclohexylmethyl)-4-phenyl-1,2-oxazol-3-amine (PubChem CID 66198710) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 5-(cyclohexylmethyl)-4-phenyl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(cyclohexylmethyl)-4-phenyl-1,2-oxazol-3-amine
PubChem CID66198710
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name5-(cyclohexylmethyl)-4-phenyl-1,2-oxazol-3-amine
SMILESNc1noc(CC2CCCCC2)c1-c1ccccc1
InChIInChI=1S/C16H20N2O/c17-16-15(13-9-5-2-6-10-13)14(19-18-16)11-12-7-3-1-4-8-12/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H2,17,18)
InChIKeyRXOFBHYMEFQZBC-UHFFFAOYSA-N
XLogP4.05
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(cyclohexylmethyl)-4-phenyl-1,2-oxazol-3-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 5-(cyclohexylmethyl)-4-phenyl-1,2-oxazol-3-amine?
The IUPAC name of 5-(cyclohexylmethyl)-4-phenyl-1,2-oxazol-3-amine (CID 66198710) is 5-(cyclohexylmethyl)-4-phenyl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(cyclohexylmethyl)-4-phenyl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(cyclohexylmethyl)-4-phenyl-1,2-oxazol-3-amine is Nc1noc(CC2CCCCC2)c1-c1ccccc1.
What is the InChIKey of 5-(cyclohexylmethyl)-4-phenyl-1,2-oxazol-3-amine?
The InChIKey is RXOFBHYMEFQZBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c17-16-15(13-9-5-2-6-10-13)14(19-18-16)11-12-7-3-1-4-8-12/h2,5-6,9-10,12H,1,3-4,7-8,11H2,(H2,17,18).
What are the key properties of 5-(cyclohexylmethyl)-4-phenyl-1,2-oxazol-3-amine?
5-(cyclohexylmethyl)-4-phenyl-1,2-oxazol-3-amine has a molecular weight of 256.35 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethyl)-4-phenyl-1,2-oxazol-3-amine is sourced from PubChem (CID 66198710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).