2-(4-chlorophenyl)-[1,3]oxazolo[4,5-b]pyridine

C12H7ClN2O — CID 2984993

IUPAC2-(4-chlorophenyl)-[1,3]oxazolo[4,5-b]pyridine
SMILESClc1ccc(-c2nc3ncccc3o2)cc1
InChIInChI=1S/C12H7ClN2O/c13-9-5-3-8(4-6-9)12-15-11-10(16-12)2-1-7-14-11/h1-7H
InChIKeyGCTURZCXNIZQLL-UHFFFAOYSA-N
MW230.65 g/mol
LogP3.54
Rot. Bonds1

About 2-(4-chlorophenyl)-[1,3]oxazolo[4,5-b]pyridine

2-(4-chlorophenyl)-[1,3]oxazolo[4,5-b]pyridine (PubChem CID 2984993) has the molecular formula C12H7ClN2O and a molecular weight of 230.65 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-[1,3]oxazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(4-chlorophenyl)-[1,3]oxazolo[4,5-b]pyridine
PubChem CID2984993
Molecular FormulaC12H7ClN2O
Molecular Weight230.65 g/mol
Exact Mass230.02
IUPAC Name2-(4-chlorophenyl)-[1,3]oxazolo[4,5-b]pyridine
SMILESClc1ccc(-c2nc3ncccc3o2)cc1
InChIInChI=1S/C12H7ClN2O/c13-9-5-3-8(4-6-9)12-15-11-10(16-12)2-1-7-14-11/h1-7H
InChIKeyGCTURZCXNIZQLL-UHFFFAOYSA-N
XLogP3.54
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.65
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-[1,3]oxazolo[4,5-b]pyridine?
The IUPAC name of 2-(4-chlorophenyl)-[1,3]oxazolo[4,5-b]pyridine (CID 2984993) is 2-(4-chlorophenyl)-[1,3]oxazolo[4,5-b]pyridine.
What is the SMILES notation for 2-(4-chlorophenyl)-[1,3]oxazolo[4,5-b]pyridine?
The canonical SMILES for 2-(4-chlorophenyl)-[1,3]oxazolo[4,5-b]pyridine is Clc1ccc(-c2nc3ncccc3o2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-[1,3]oxazolo[4,5-b]pyridine?
The InChIKey is GCTURZCXNIZQLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7ClN2O/c13-9-5-3-8(4-6-9)12-15-11-10(16-12)2-1-7-14-11/h1-7H.
What are the key properties of 2-(4-chlorophenyl)-[1,3]oxazolo[4,5-b]pyridine?
2-(4-chlorophenyl)-[1,3]oxazolo[4,5-b]pyridine has a molecular weight of 230.65 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-[1,3]oxazolo[4,5-b]pyridine is sourced from PubChem (CID 2984993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).