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

C8H6ClNO2 — CID 24825664

IUPAC6-chloro-3-methoxy-1,2-benzoxazole
SMILESCOc1noc2cc(Cl)ccc12
InChIInChI=1S/C8H6ClNO2/c1-11-8-6-3-2-5(9)4-7(6)12-10-8/h2-4H,1H3
InChIKeyBGVLOJBYTSTMBP-UHFFFAOYSA-N
MW183.59 g/mol
LogP2.49
Rot. Bonds1

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

6-chloro-3-methoxy-1,2-benzoxazole (PubChem CID 24825664) has the molecular formula C8H6ClNO2 and a molecular weight of 183.59 g/mol. Its IUPAC name is 6-chloro-3-methoxy-1,2-benzoxazole.

Molecular Properties

Compound Name6-chloro-3-methoxy-1,2-benzoxazole
PubChem CID24825664
Molecular FormulaC8H6ClNO2
Molecular Weight183.59 g/mol
Exact Mass183.01
IUPAC Name6-chloro-3-methoxy-1,2-benzoxazole
SMILESCOc1noc2cc(Cl)ccc12
InChIInChI=1S/C8H6ClNO2/c1-11-8-6-3-2-5(9)4-7(6)12-10-8/h2-4H,1H3
InChIKeyBGVLOJBYTSTMBP-UHFFFAOYSA-N
XLogP2.49
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.59
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 6-chloro-3-methoxy-1,2-benzoxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-chlorobenzo[d]isoxazol-3-yl N,N-dimethylcarbamate
CID 2726311
(5-chloro-1,2-benzoxazol-3-yl) N,N-dimethylcarbamate
CID 2726310
6-Chlorobenzo[d]isoxazol-3-yl 4-trifluoromethylpiperidine-1-carboxylate
CID 11857752
6-Chlorobenzo[d]isoxazol-3-yl 4-methylpiperidine-1-carboxylate
CID 12001416
3-Chloro-1,2-benzoxazole
CID 2779780
Phosphorothioic acid, O-(5-chloro-1,2-benzisoxazol-3-yl) O,O-diethyl ester
CID 199424
3-Chloro-6-methoxy-1,2-benzoxazole
CID 15816924
3-Octoxy-1,2-benzoxazole
CID 57400169
(6-chloro-1,2-benzoxazol-3-yl) N-propan-2-ylcarbamate
CID 2726329
5-Iodo-3-methoxy-7-methylbenzo[d]isoxazole
CID 11673680
3-Chloro-5-methoxy-1,2-benzoxazole
CID 15453987
6-Chlorobenzo[D]isoxazole
CID 20096506

Frequently Asked Questions

What is the IUPAC name of 6-chloro-3-methoxy-1,2-benzoxazole?
The IUPAC name of 6-chloro-3-methoxy-1,2-benzoxazole (CID 24825664) is 6-chloro-3-methoxy-1,2-benzoxazole.
What is the SMILES notation for 6-chloro-3-methoxy-1,2-benzoxazole?
The canonical SMILES for 6-chloro-3-methoxy-1,2-benzoxazole is COc1noc2cc(Cl)ccc12.
What is the InChIKey of 6-chloro-3-methoxy-1,2-benzoxazole?
The InChIKey is BGVLOJBYTSTMBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNO2/c1-11-8-6-3-2-5(9)4-7(6)12-10-8/h2-4H,1H3.
What are the key properties of 6-chloro-3-methoxy-1,2-benzoxazole?
6-chloro-3-methoxy-1,2-benzoxazole has a molecular weight of 183.59 g/mol, XLogP of 2.49, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-3-methoxy-1,2-benzoxazole is sourced from PubChem (CID 24825664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).