2-(2-cyclohexylethyl)-1,3-benzoxazol-5-ol

C15H19NO2 — CID 82162918

IUPAC2-(2-cyclohexylethyl)-1,3-benzoxazol-5-ol
SMILESOc1ccc2oc(CCC3CCCCC3)nc2c1
InChIInChI=1S/C15H19NO2/c17-12-7-8-14-13(10-12)16-15(18-14)9-6-11-4-2-1-3-5-11/h7-8,10-11,17H,1-6,9H2
InChIKeyHHULLCJEOGAAIO-UHFFFAOYSA-N
MW245.32 g/mol
LogP4.05
Rot. Bonds3

About 2-(2-cyclohexylethyl)-1,3-benzoxazol-5-ol

2-(2-cyclohexylethyl)-1,3-benzoxazol-5-ol (PubChem CID 82162918) has the molecular formula C15H19NO2 and a molecular weight of 245.32 g/mol. Its IUPAC name is 2-(2-cyclohexylethyl)-1,3-benzoxazol-5-ol.

Molecular Properties

Compound Name2-(2-cyclohexylethyl)-1,3-benzoxazol-5-ol
PubChem CID82162918
Molecular FormulaC15H19NO2
Molecular Weight245.32 g/mol
Exact Mass245.14
IUPAC Name2-(2-cyclohexylethyl)-1,3-benzoxazol-5-ol
SMILESOc1ccc2oc(CCC3CCCCC3)nc2c1
InChIInChI=1S/C15H19NO2/c17-12-7-8-14-13(10-12)16-15(18-14)9-6-11-4-2-1-3-5-11/h7-8,10-11,17H,1-6,9H2
InChIKeyHHULLCJEOGAAIO-UHFFFAOYSA-N
XLogP4.05
TPSA46.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(2-cyclohexylethyl)-1,3-benzoxazol-5-ol 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 2-(2-cyclohexylethyl)-1,3-benzoxazol-5-ol?
The IUPAC name of 2-(2-cyclohexylethyl)-1,3-benzoxazol-5-ol (CID 82162918) is 2-(2-cyclohexylethyl)-1,3-benzoxazol-5-ol.
What is the SMILES notation for 2-(2-cyclohexylethyl)-1,3-benzoxazol-5-ol?
The canonical SMILES for 2-(2-cyclohexylethyl)-1,3-benzoxazol-5-ol is Oc1ccc2oc(CCC3CCCCC3)nc2c1.
What is the InChIKey of 2-(2-cyclohexylethyl)-1,3-benzoxazol-5-ol?
The InChIKey is HHULLCJEOGAAIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19NO2/c17-12-7-8-14-13(10-12)16-15(18-14)9-6-11-4-2-1-3-5-11/h7-8,10-11,17H,1-6,9H2.
What are the key properties of 2-(2-cyclohexylethyl)-1,3-benzoxazol-5-ol?
2-(2-cyclohexylethyl)-1,3-benzoxazol-5-ol has a molecular weight of 245.32 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 2-(2-cyclohexylethyl)-1,3-benzoxazol-5-ol is sourced from PubChem (CID 82162918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).