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

C8H6ClNO2 — CID 14012504

IUPAC7-chloro-6-methoxy-1,2-benzoxazole
SMILESCOc1ccc2cnoc2c1Cl
InChIInChI=1S/C8H6ClNO2/c1-11-6-3-2-5-4-10-12-8(5)7(6)9/h2-4H,1H3
InChIKeyXFJBVHAXOJRBRI-UHFFFAOYSA-N
MW183.59 g/mol
LogP2.49
Rot. Bonds1

About 7-chloro-6-methoxy-1,2-benzoxazole

7-chloro-6-methoxy-1,2-benzoxazole (PubChem CID 14012504) has the molecular formula C8H6ClNO2 and a molecular weight of 183.59 g/mol. Its IUPAC name is 7-chloro-6-methoxy-1,2-benzoxazole.

Molecular Properties

Compound Name7-chloro-6-methoxy-1,2-benzoxazole
PubChem CID14012504
Molecular FormulaC8H6ClNO2
Molecular Weight183.59 g/mol
Exact Mass183.01
IUPAC Name7-chloro-6-methoxy-1,2-benzoxazole
SMILESCOc1ccc2cnoc2c1Cl
InChIInChI=1S/C8H6ClNO2/c1-11-6-3-2-5-4-10-12-8(5)7(6)9/h2-4H,1H3
InChIKeyXFJBVHAXOJRBRI-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

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Frequently Asked Questions

What is the IUPAC name of 7-chloro-6-methoxy-1,2-benzoxazole?
The IUPAC name of 7-chloro-6-methoxy-1,2-benzoxazole (CID 14012504) is 7-chloro-6-methoxy-1,2-benzoxazole.
What is the SMILES notation for 7-chloro-6-methoxy-1,2-benzoxazole?
The canonical SMILES for 7-chloro-6-methoxy-1,2-benzoxazole is COc1ccc2cnoc2c1Cl.
What is the InChIKey of 7-chloro-6-methoxy-1,2-benzoxazole?
The InChIKey is XFJBVHAXOJRBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClNO2/c1-11-6-3-2-5-4-10-12-8(5)7(6)9/h2-4H,1H3.
What are the key properties of 7-chloro-6-methoxy-1,2-benzoxazole?
7-chloro-6-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 7-chloro-6-methoxy-1,2-benzoxazole is sourced from PubChem (CID 14012504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).