(4-bromophenyl)-[4-(pyridine-2-carbonyl)-1,2-oxazol-3-yl]methanone

C16H9BrN2O3 — CID 1214588

IUPAC(4-bromophenyl)-[4-(pyridine-2-carbonyl)-1,2-oxazol-3-yl]methanone
SMILESO=C(c1ccccn1)c1conc1C(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H9BrN2O3/c17-11-6-4-10(5-7-11)15(20)14-12(9-22-19-14)16(21)13-3-1-2-8-18-13/h1-9H
InChIKeyQTLBOFPZHOJBJP-UHFFFAOYSA-N
MW357.16 g/mol
LogP3.29
Rot. Bonds4

About (4-bromophenyl)-[4-(pyridine-2-carbonyl)-1,2-oxazol-3-yl]methanone

(4-bromophenyl)-[4-(pyridine-2-carbonyl)-1,2-oxazol-3-yl]methanone (PubChem CID 1214588) has the molecular formula C16H9BrN2O3 and a molecular weight of 357.16 g/mol. Its IUPAC name is (4-bromophenyl)-[4-(pyridine-2-carbonyl)-1,2-oxazol-3-yl]methanone.

Molecular Properties

Compound Name(4-bromophenyl)-[4-(pyridine-2-carbonyl)-1,2-oxazol-3-yl]methanone
PubChem CID1214588
Molecular FormulaC16H9BrN2O3
Molecular Weight357.16 g/mol
Exact Mass355.98
IUPAC Name(4-bromophenyl)-[4-(pyridine-2-carbonyl)-1,2-oxazol-3-yl]methanone
SMILESO=C(c1ccccn1)c1conc1C(=O)c1ccc(Br)cc1
InChIInChI=1S/C16H9BrN2O3/c17-11-6-4-10(5-7-11)15(20)14-12(9-22-19-14)16(21)13-3-1-2-8-18-13/h1-9H
InChIKeyQTLBOFPZHOJBJP-UHFFFAOYSA-N
XLogP3.29
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.16
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (4-bromophenyl)-[4-(pyridine-2-carbonyl)-1,2-oxazol-3-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-bromophenyl)-[4-(pyridine-2-carbonyl)-1,2-oxazol-3-yl]methanone?
The IUPAC name of (4-bromophenyl)-[4-(pyridine-2-carbonyl)-1,2-oxazol-3-yl]methanone (CID 1214588) is (4-bromophenyl)-[4-(pyridine-2-carbonyl)-1,2-oxazol-3-yl]methanone.
What is the SMILES notation for (4-bromophenyl)-[4-(pyridine-2-carbonyl)-1,2-oxazol-3-yl]methanone?
The canonical SMILES for (4-bromophenyl)-[4-(pyridine-2-carbonyl)-1,2-oxazol-3-yl]methanone is O=C(c1ccccn1)c1conc1C(=O)c1ccc(Br)cc1.
What is the InChIKey of (4-bromophenyl)-[4-(pyridine-2-carbonyl)-1,2-oxazol-3-yl]methanone?
The InChIKey is QTLBOFPZHOJBJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H9BrN2O3/c17-11-6-4-10(5-7-11)15(20)14-12(9-22-19-14)16(21)13-3-1-2-8-18-13/h1-9H.
What are the key properties of (4-bromophenyl)-[4-(pyridine-2-carbonyl)-1,2-oxazol-3-yl]methanone?
(4-bromophenyl)-[4-(pyridine-2-carbonyl)-1,2-oxazol-3-yl]methanone has a molecular weight of 357.16 g/mol, XLogP of 3.29, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromophenyl)-[4-(pyridine-2-carbonyl)-1,2-oxazol-3-yl]methanone is sourced from PubChem (CID 1214588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).