3-chloro-1,2-benzoxazole

C7H4ClNO — CID 2779780

IUPAC3-chloro-1,2-benzoxazole
SMILESClc1noc2ccccc12
InChIInChI=1S/C7H4ClNO/c8-7-5-3-1-2-4-6(5)10-9-7/h1-4H
InChIKeyINWUFXPCLZRSBH-UHFFFAOYSA-N
MW153.57 g/mol
LogP2.48
Rot. Bonds

About 3-chloro-1,2-benzoxazole

3-chloro-1,2-benzoxazole (PubChem CID 2779780) has the molecular formula C7H4ClNO and a molecular weight of 153.57 g/mol. Its IUPAC name is 3-chloro-1,2-benzoxazole.

Molecular Properties

Compound Name3-chloro-1,2-benzoxazole
PubChem CID2779780
Molecular FormulaC7H4ClNO
Molecular Weight153.57 g/mol
Exact Mass153.00
IUPAC Name3-chloro-1,2-benzoxazole
SMILESClc1noc2ccccc12
InChIInChI=1S/C7H4ClNO/c8-7-5-3-1-2-4-6(5)10-9-7/h1-4H
InChIKeyINWUFXPCLZRSBH-UHFFFAOYSA-N
XLogP2.48
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.57
LogP ≤ 52.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chloro-1,2-benzoxazole?
The IUPAC name of 3-chloro-1,2-benzoxazole (CID 2779780) is 3-chloro-1,2-benzoxazole.
What is the SMILES notation for 3-chloro-1,2-benzoxazole?
The canonical SMILES for 3-chloro-1,2-benzoxazole is Clc1noc2ccccc12.
What is the InChIKey of 3-chloro-1,2-benzoxazole?
The InChIKey is INWUFXPCLZRSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClNO/c8-7-5-3-1-2-4-6(5)10-9-7/h1-4H.
What are the key properties of 3-chloro-1,2-benzoxazole?
3-chloro-1,2-benzoxazole has a molecular weight of 153.57 g/mol, XLogP of 2.48, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1,2-benzoxazole is sourced from PubChem (CID 2779780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).