3-(1-cyclohexylethyl)-1,2-oxazole

C11H17NO — CID 140506434

IUPAC3-(1-cyclohexylethyl)-1,2-oxazole
SMILESCC(c1ccon1)C1CCCCC1
InChIInChI=1S/C11H17NO/c1-9(11-7-8-13-12-11)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3
InChIKeyNKUQPQAFOSXHAE-UHFFFAOYSA-N
MW179.26 g/mol
LogP3.36
Rot. Bonds2

About 3-(1-cyclohexylethyl)-1,2-oxazole

3-(1-cyclohexylethyl)-1,2-oxazole (PubChem CID 140506434) has the molecular formula C11H17NO and a molecular weight of 179.26 g/mol. Its IUPAC name is 3-(1-cyclohexylethyl)-1,2-oxazole.

Molecular Properties

Compound Name3-(1-cyclohexylethyl)-1,2-oxazole
PubChem CID140506434
Molecular FormulaC11H17NO
Molecular Weight179.26 g/mol
Exact Mass179.13
IUPAC Name3-(1-cyclohexylethyl)-1,2-oxazole
SMILESCC(c1ccon1)C1CCCCC1
InChIInChI=1S/C11H17NO/c1-9(11-7-8-13-12-11)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3
InChIKeyNKUQPQAFOSXHAE-UHFFFAOYSA-N
XLogP3.36
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.26
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 3-(1-cyclohexylethyl)-1,2-oxazole 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-(1-cyclohexylethyl)-1,2-oxazole?
The IUPAC name of 3-(1-cyclohexylethyl)-1,2-oxazole (CID 140506434) is 3-(1-cyclohexylethyl)-1,2-oxazole.
What is the SMILES notation for 3-(1-cyclohexylethyl)-1,2-oxazole?
The canonical SMILES for 3-(1-cyclohexylethyl)-1,2-oxazole is CC(c1ccon1)C1CCCCC1.
What is the InChIKey of 3-(1-cyclohexylethyl)-1,2-oxazole?
The InChIKey is NKUQPQAFOSXHAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17NO/c1-9(11-7-8-13-12-11)10-5-3-2-4-6-10/h7-10H,2-6H2,1H3.
What are the key properties of 3-(1-cyclohexylethyl)-1,2-oxazole?
3-(1-cyclohexylethyl)-1,2-oxazole has a molecular weight of 179.26 g/mol, XLogP of 3.36, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclohexylethyl)-1,2-oxazole is sourced from PubChem (CID 140506434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).