6-chloro-2,1-benzoxazole

C7H4ClNO — CID 14361545

IUPAC6-chloro-2,1-benzoxazole
SMILESClc1ccc2conc2c1
InChIInChI=1S/C7H4ClNO/c8-6-2-1-5-4-10-9-7(5)3-6/h1-4H
InChIKeyWRQUJINZKQUIMR-UHFFFAOYSA-N
MW153.57 g/mol
LogP2.48
Rot. Bonds

About 6-chloro-2,1-benzoxazole

6-chloro-2,1-benzoxazole (PubChem CID 14361545) has the molecular formula C7H4ClNO and a molecular weight of 153.57 g/mol. Its IUPAC name is 6-chloro-2,1-benzoxazole.

Molecular Properties

Compound Name6-chloro-2,1-benzoxazole
PubChem CID14361545
Molecular FormulaC7H4ClNO
Molecular Weight153.57 g/mol
Exact Mass153.00
IUPAC Name6-chloro-2,1-benzoxazole
SMILESClc1ccc2conc2c1
InChIInChI=1S/C7H4ClNO/c8-6-2-1-5-4-10-9-7(5)3-6/h1-4H
InChIKeyWRQUJINZKQUIMR-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 6-chloro-2,1-benzoxazole?
The IUPAC name of 6-chloro-2,1-benzoxazole (CID 14361545) is 6-chloro-2,1-benzoxazole.
What is the SMILES notation for 6-chloro-2,1-benzoxazole?
The canonical SMILES for 6-chloro-2,1-benzoxazole is Clc1ccc2conc2c1.
What is the InChIKey of 6-chloro-2,1-benzoxazole?
The InChIKey is WRQUJINZKQUIMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClNO/c8-6-2-1-5-4-10-9-7(5)3-6/h1-4H.
What are the key properties of 6-chloro-2,1-benzoxazole?
6-chloro-2,1-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 6-chloro-2,1-benzoxazole is sourced from PubChem (CID 14361545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).