2-chloro-6-methyl-1,3-benzoxazole

C8H6ClNO — CID 10678666

IUPAC2-chloro-6-methyl-1,3-benzoxazole
SMILESCc1ccc2nc(Cl)oc2c1
InChIInChI=1S/C8H6ClNO/c1-5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3
InChIKeyCLEOKTJHYLXEKQ-UHFFFAOYSA-N
MW167.59 g/mol
LogP2.79
Rot. Bonds

About 2-chloro-6-methyl-1,3-benzoxazole

2-chloro-6-methyl-1,3-benzoxazole (PubChem CID 10678666) has the molecular formula C8H6ClNO and a molecular weight of 167.59 g/mol. Its IUPAC name is 2-chloro-6-methyl-1,3-benzoxazole.

Molecular Properties

Compound Name2-chloro-6-methyl-1,3-benzoxazole
PubChem CID10678666
Molecular FormulaC8H6ClNO
Molecular Weight167.59 g/mol
Exact Mass167.01
IUPAC Name2-chloro-6-methyl-1,3-benzoxazole
SMILESCc1ccc2nc(Cl)oc2c1
InChIInChI=1S/C8H6ClNO/c1-5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3
InChIKeyCLEOKTJHYLXEKQ-UHFFFAOYSA-N
XLogP2.79
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.59
LogP ≤ 52.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-chloro-6-methyl-1,3-benzoxazole 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-chloro-6-methyl-1,3-benzoxazole?
The IUPAC name of 2-chloro-6-methyl-1,3-benzoxazole (CID 10678666) is 2-chloro-6-methyl-1,3-benzoxazole.
What is the SMILES notation for 2-chloro-6-methyl-1,3-benzoxazole?
The canonical SMILES for 2-chloro-6-methyl-1,3-benzoxazole is Cc1ccc2nc(Cl)oc2c1.
What is the InChIKey of 2-chloro-6-methyl-1,3-benzoxazole?
The InChIKey is CLEOKTJHYLXEKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNO/c1-5-2-3-6-7(4-5)11-8(9)10-6/h2-4H,1H3.
What are the key properties of 2-chloro-6-methyl-1,3-benzoxazole?
2-chloro-6-methyl-1,3-benzoxazole has a molecular weight of 167.59 g/mol, XLogP of 2.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-methyl-1,3-benzoxazole is sourced from PubChem (CID 10678666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).