2-(5-bromo-3-pyridinyl)-5-chloro-1,3-benzoxazole

C12H6BrClN2O — CID 95909945

IUPAC2-(5-bromo-3-pyridinyl)-5-chloro-1,3-benzoxazole
SMILESClc1ccc2oc(-c3cncc(Br)c3)nc2c1
InChIInChI=1S/C12H6BrClN2O/c13-8-3-7(5-15-6-8)12-16-10-4-9(14)1-2-11(10)17-12/h1-6H
InChIKeyDIFQYUMAGZVJQH-UHFFFAOYSA-N
MW309.55 g/mol
LogP4.31
Rot. Bonds1

About 2-(5-bromo-3-pyridinyl)-5-chloro-1,3-benzoxazole

2-(5-bromo-3-pyridinyl)-5-chloro-1,3-benzoxazole (PubChem CID 95909945) has the molecular formula C12H6BrClN2O and a molecular weight of 309.55 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-5-chloro-1,3-benzoxazole.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-5-chloro-1,3-benzoxazole
PubChem CID95909945
Molecular FormulaC12H6BrClN2O
Molecular Weight309.55 g/mol
Exact Mass307.94
IUPAC Name2-(5-bromo-3-pyridinyl)-5-chloro-1,3-benzoxazole
SMILESClc1ccc2oc(-c3cncc(Br)c3)nc2c1
InChIInChI=1S/C12H6BrClN2O/c13-8-3-7(5-15-6-8)12-16-10-4-9(14)1-2-11(10)17-12/h1-6H
InChIKeyDIFQYUMAGZVJQH-UHFFFAOYSA-N
XLogP4.31
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.55
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromo-3-pyridinyl)-5-methoxy-1,3-benzoxazole
CID 95910527
2-(5-bromo-3-pyridinyl)-1,3-benzoxazole-5-carboxylic acid
CID 81358149
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-5-chloro-2-methoxybenzamide
CID 1395588
2-[4-(bromomethyl)phenyl]-5-chloro-1,3-benzoxazole
CID 14074210
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]benzamide
CID 2984861
2-(4-bromophenyl)-6-chloro-1,3-benzoxazole
CID 53497105
2-[4-(5-chloro-1,3-benzoxazol-2-yl)phenyl]ethanamine
CID 43665734
5-chloro-2-(3,5-dimethoxyphenyl)-1,3-benzoxazole
CID 839464
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 3736722
5-chloro-2-(2,5-dichlorophenyl)-1,3-benzoxazole
CID 95911053
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-2-methylbenzamide
CID 1397326
N-[2-(5-bromo-3-pyridinyl)-1,3-benzoxazol-5-yl]-1-benzofuran-2-carboxamide
CID 1256505

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-5-chloro-1,3-benzoxazole?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-5-chloro-1,3-benzoxazole (CID 95909945) is 2-(5-bromo-3-pyridinyl)-5-chloro-1,3-benzoxazole.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-5-chloro-1,3-benzoxazole?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-5-chloro-1,3-benzoxazole is Clc1ccc2oc(-c3cncc(Br)c3)nc2c1.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-5-chloro-1,3-benzoxazole?
The InChIKey is DIFQYUMAGZVJQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6BrClN2O/c13-8-3-7(5-15-6-8)12-16-10-4-9(14)1-2-11(10)17-12/h1-6H.
What are the key properties of 2-(5-bromo-3-pyridinyl)-5-chloro-1,3-benzoxazole?
2-(5-bromo-3-pyridinyl)-5-chloro-1,3-benzoxazole has a molecular weight of 309.55 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-5-chloro-1,3-benzoxazole is sourced from PubChem (CID 95909945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).