(7-chloro-1,3-benzoxazol-2-yl)-cyclohexylmethanamine

C14H17ClN2O — CID 81433119

IUPAC(7-chloro-1,3-benzoxazol-2-yl)-cyclohexylmethanamine
SMILESNC(c1nc2cccc(Cl)c2o1)C1CCCCC1
InChIInChI=1S/C14H17ClN2O/c15-10-7-4-8-11-13(10)18-14(17-11)12(16)9-5-2-1-3-6-9/h4,7-9,12H,1-3,5-6,16H2
InChIKeyPVIYLDBLJSQYKV-UHFFFAOYSA-N
MW264.76 g/mol
LogP4.06
Rot. Bonds2

About (7-chloro-1,3-benzoxazol-2-yl)-cyclohexylmethanamine

(7-chloro-1,3-benzoxazol-2-yl)-cyclohexylmethanamine (PubChem CID 81433119) has the molecular formula C14H17ClN2O and a molecular weight of 264.76 g/mol. Its IUPAC name is (7-chloro-1,3-benzoxazol-2-yl)-cyclohexylmethanamine.

Molecular Properties

Compound Name(7-chloro-1,3-benzoxazol-2-yl)-cyclohexylmethanamine
PubChem CID81433119
Molecular FormulaC14H17ClN2O
Molecular Weight264.76 g/mol
Exact Mass264.10
IUPAC Name(7-chloro-1,3-benzoxazol-2-yl)-cyclohexylmethanamine
SMILESNC(c1nc2cccc(Cl)c2o1)C1CCCCC1
InChIInChI=1S/C14H17ClN2O/c15-10-7-4-8-11-13(10)18-14(17-11)12(16)9-5-2-1-3-6-9/h4,7-9,12H,1-3,5-6,16H2
InChIKeyPVIYLDBLJSQYKV-UHFFFAOYSA-N
XLogP4.06
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.76
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (7-chloro-1,3-benzoxazol-2-yl)-cyclohexylmethanamine 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 (7-chloro-1,3-benzoxazol-2-yl)-cyclohexylmethanamine?
The IUPAC name of (7-chloro-1,3-benzoxazol-2-yl)-cyclohexylmethanamine (CID 81433119) is (7-chloro-1,3-benzoxazol-2-yl)-cyclohexylmethanamine.
What is the SMILES notation for (7-chloro-1,3-benzoxazol-2-yl)-cyclohexylmethanamine?
The canonical SMILES for (7-chloro-1,3-benzoxazol-2-yl)-cyclohexylmethanamine is NC(c1nc2cccc(Cl)c2o1)C1CCCCC1.
What is the InChIKey of (7-chloro-1,3-benzoxazol-2-yl)-cyclohexylmethanamine?
The InChIKey is PVIYLDBLJSQYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN2O/c15-10-7-4-8-11-13(10)18-14(17-11)12(16)9-5-2-1-3-6-9/h4,7-9,12H,1-3,5-6,16H2.
What are the key properties of (7-chloro-1,3-benzoxazol-2-yl)-cyclohexylmethanamine?
(7-chloro-1,3-benzoxazol-2-yl)-cyclohexylmethanamine has a molecular weight of 264.76 g/mol, XLogP of 4.06, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (7-chloro-1,3-benzoxazol-2-yl)-cyclohexylmethanamine is sourced from PubChem (CID 81433119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).