2-chloro-1,3-benzoxazole

C7H4ClNO — CID 11986

IUPAC2-chloro-1,3-benzoxazole
SMILESClc1nc2ccccc2o1
InChIInChI=1S/C7H4ClNO/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H
InChIKeyBBVQDWDBTWSGHQ-UHFFFAOYSA-N
MW153.57 g/mol
LogP2.48
Rot. Bonds

About 2-chloro-1,3-benzoxazole

2-chloro-1,3-benzoxazole (PubChem CID 11986) has the molecular formula C7H4ClNO and a molecular weight of 153.57 g/mol. Its IUPAC name is 2-chloro-1,3-benzoxazole.

Molecular Properties

Compound Name2-chloro-1,3-benzoxazole
PubChem CID11986
Molecular FormulaC7H4ClNO
Molecular Weight153.57 g/mol
Exact Mass153.00
IUPAC Name2-chloro-1,3-benzoxazole
SMILESClc1nc2ccccc2o1
InChIInChI=1S/C7H4ClNO/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H
InChIKeyBBVQDWDBTWSGHQ-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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Related Compounds

Zoxazolamine
CID 6103
Benzoxazole
CID 9228
2-Methylbenzoxazole
CID 7225
Benzoxazole, 2-(phenylmethyl)-
CID 16179
L 696229
CID 72352
Benzoxazole, 2-phenyl-
CID 70030
2-p-Tolylbenzoxazole
CID 70039
2-Aminobenzoxazole
CID 20707
5-Chloro-2-methylbenzoxazole
CID 29510
2,5-Dimethylbenzoxazole
CID 21884
2-(2'-Methylphenyl)benzoxazole
CID 154899
1-(1,3-Benzoxazol-2-yl)guanidine
CID 222552

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1,3-benzoxazole?
The IUPAC name of 2-chloro-1,3-benzoxazole (CID 11986) is 2-chloro-1,3-benzoxazole.
What is the SMILES notation for 2-chloro-1,3-benzoxazole?
The canonical SMILES for 2-chloro-1,3-benzoxazole is Clc1nc2ccccc2o1.
What is the InChIKey of 2-chloro-1,3-benzoxazole?
The InChIKey is BBVQDWDBTWSGHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClNO/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H.
What are the key properties of 2-chloro-1,3-benzoxazole?
2-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 2-chloro-1,3-benzoxazole is sourced from PubChem (CID 11986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).