2-(4-chlorophenyl)-1,3-benzoxazole

C13H8ClNO — CID 14355

IUPAC2-(4-chlorophenyl)-1,3-benzoxazole
SMILESClc1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C13H8ClNO/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H
InChIKeyNTMAGNRMERGORC-UHFFFAOYSA-N
MW229.67 g/mol
LogP4.15
Rot. Bonds1

About 2-(4-chlorophenyl)-1,3-benzoxazole

2-(4-chlorophenyl)-1,3-benzoxazole (PubChem CID 14355) has the molecular formula C13H8ClNO and a molecular weight of 229.67 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-1,3-benzoxazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-1,3-benzoxazole
PubChem CID14355
Molecular FormulaC13H8ClNO
Molecular Weight229.67 g/mol
Exact Mass229.03
IUPAC Name2-(4-chlorophenyl)-1,3-benzoxazole
SMILESClc1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C13H8ClNO/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H
InChIKeyNTMAGNRMERGORC-UHFFFAOYSA-N
XLogP4.15
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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Tafamidis
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CID 7225
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CID 112786
Benzenamine, 4-(2-benzoxazolyl)-
CID 88733
Benzoxazole, 2-phenyl-
CID 70030
2-p-Tolylbenzoxazole
CID 70039
2-(4-Aminophenyl)benzoxazol-5-amine
CID 614385
5-Nitro-2-phenyl-1,3-benzoxazole
CID 759401
2-(2-Benzoxazolyl)phenol
CID 13269
5-Chloro-2-methylbenzoxazole
CID 29510

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-1,3-benzoxazole?
The IUPAC name of 2-(4-chlorophenyl)-1,3-benzoxazole (CID 14355) is 2-(4-chlorophenyl)-1,3-benzoxazole.
What is the SMILES notation for 2-(4-chlorophenyl)-1,3-benzoxazole?
The canonical SMILES for 2-(4-chlorophenyl)-1,3-benzoxazole is Clc1ccc(-c2nc3ccccc3o2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-1,3-benzoxazole?
The InChIKey is NTMAGNRMERGORC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8ClNO/c14-10-7-5-9(6-8-10)13-15-11-3-1-2-4-12(11)16-13/h1-8H.
What are the key properties of 2-(4-chlorophenyl)-1,3-benzoxazole?
2-(4-chlorophenyl)-1,3-benzoxazole has a molecular weight of 229.67 g/mol, XLogP of 4.15, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-1,3-benzoxazole is sourced from PubChem (CID 14355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).