5-chloro-1,3-benzoxazole

C7H4ClNO — CID 28398

IUPAC5-chloro-1,3-benzoxazole
SMILESClc1ccc2ocnc2c1
InChIInChI=1S/C7H4ClNO/c8-5-1-2-7-6(3-5)9-4-10-7/h1-4H
InChIKeyVWMQXAYLHOSRKA-UHFFFAOYSA-N
MW153.57 g/mol
LogP2.48
Rot. Bonds

About 5-chloro-1,3-benzoxazole

5-chloro-1,3-benzoxazole (PubChem CID 28398) has the molecular formula C7H4ClNO and a molecular weight of 153.57 g/mol. Its IUPAC name is 5-chloro-1,3-benzoxazole.

Molecular Properties

Compound Name5-chloro-1,3-benzoxazole
PubChem CID28398
Molecular FormulaC7H4ClNO
Molecular Weight153.57 g/mol
Exact Mass153.00
IUPAC Name5-chloro-1,3-benzoxazole
SMILESClc1ccc2ocnc2c1
InChIInChI=1S/C7H4ClNO/c8-5-1-2-7-6(3-5)9-4-10-7/h1-4H
InChIKeyVWMQXAYLHOSRKA-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-Chlorobenzoxazole
CID 11986
5-Chloro-2-methylbenzoxazole
CID 29510
Benzoxazole, 5-chloro-2-phenyl-
CID 773072
2-Bromo-1,3-benzoxazole
CID 14387159
Ethyl 2-(5-chloro-1,3-benzoxazol-2-yl)acetate
CID 894114
2-[(5-Chloro-1,3-benzoxazol-2-yl)sulfanyl]-1-(morpholin-4-yl)ethanone
CID 975667
Benzoxazole, 5-chloro-2-dimethylamino-
CID 46393
Benzoxazole, 5-chloro-2-hydrazino-
CID 46395
Benzoxazole, 5-chloro-2-methylthio-
CID 46398
5-Methylbenzoxazole
CID 2724970

Frequently Asked Questions

What is the IUPAC name of 5-chloro-1,3-benzoxazole?
The IUPAC name of 5-chloro-1,3-benzoxazole (CID 28398) is 5-chloro-1,3-benzoxazole.
What is the SMILES notation for 5-chloro-1,3-benzoxazole?
The canonical SMILES for 5-chloro-1,3-benzoxazole is Clc1ccc2ocnc2c1.
What is the InChIKey of 5-chloro-1,3-benzoxazole?
The InChIKey is VWMQXAYLHOSRKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4ClNO/c8-5-1-2-7-6(3-5)9-4-10-7/h1-4H.
What are the key properties of 5-chloro-1,3-benzoxazole?
5-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 5-chloro-1,3-benzoxazole is sourced from PubChem (CID 28398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).