6-chloro-1,3-benzoxazole

C7H4ClNO — CID 9350362

IUPAC6-chloro-1,3-benzoxazole
SMILESClc1ccc2ncoc2c1
InChIInChI=1S/C7H4ClNO/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H
InChIKeyJJOOKXUUVWIARB-UHFFFAOYSA-N
MW153.57 g/mol
LogP2.48
Rot. Bonds

About 6-chloro-1,3-benzoxazole

6-chloro-1,3-benzoxazole (PubChem CID 9350362) has the molecular formula C7H4ClNO and a molecular weight of 153.57 g/mol. Its IUPAC name is 6-chloro-1,3-benzoxazole.

Molecular Properties

Compound Name6-chloro-1,3-benzoxazole
PubChem CID9350362
Molecular FormulaC7H4ClNO
Molecular Weight153.57 g/mol
Exact Mass153.00
IUPAC Name6-chloro-1,3-benzoxazole
SMILESClc1ccc2ncoc2c1
InChIInChI=1S/C7H4ClNO/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H
InChIKeyJJOOKXUUVWIARB-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-1,3-benzoxazole?
The IUPAC name of 6-chloro-1,3-benzoxazole (CID 9350362) is 6-chloro-1,3-benzoxazole.
What is the SMILES notation for 6-chloro-1,3-benzoxazole?
The canonical SMILES for 6-chloro-1,3-benzoxazole is Clc1ccc2ncoc2c1.
What is the InChIKey of 6-chloro-1,3-benzoxazole?
The InChIKey is JJOOKXUUVWIARB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClNO/c8-5-1-2-6-7(3-5)10-4-9-6/h1-4H.
What are the key properties of 6-chloro-1,3-benzoxazole?
6-chloro-1,3-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-1,3-benzoxazole is sourced from PubChem (CID 9350362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).