2-(5,6-diphenyl-1,2,4-triazin-3-yl)-1,3-oxazole

C18H12N4O — CID 71374228

IUPAC2-(5,6-diphenyl-1,2,4-triazin-3-yl)-1,3-oxazole
SMILESc1ccc(-c2nnc(-c3ncco3)nc2-c2ccccc2)cc1
InChIInChI=1S/C18H12N4O/c1-3-7-13(8-4-1)15-16(14-9-5-2-6-10-14)21-22-17(20-15)18-19-11-12-23-18/h1-12H
InChIKeyLVQZUQPYMAPPGD-UHFFFAOYSA-N
MW300.32 g/mol
LogP3.86
Rot. Bonds3

About 2-(5,6-diphenyl-1,2,4-triazin-3-yl)-1,3-oxazole

2-(5,6-diphenyl-1,2,4-triazin-3-yl)-1,3-oxazole (PubChem CID 71374228) has the molecular formula C18H12N4O and a molecular weight of 300.32 g/mol. Its IUPAC name is 2-(5,6-diphenyl-1,2,4-triazin-3-yl)-1,3-oxazole.

Molecular Properties

Compound Name2-(5,6-diphenyl-1,2,4-triazin-3-yl)-1,3-oxazole
PubChem CID71374228
Molecular FormulaC18H12N4O
Molecular Weight300.32 g/mol
Exact Mass300.10
IUPAC Name2-(5,6-diphenyl-1,2,4-triazin-3-yl)-1,3-oxazole
SMILESc1ccc(-c2nnc(-c3ncco3)nc2-c2ccccc2)cc1
InChIInChI=1S/C18H12N4O/c1-3-7-13(8-4-1)15-16(14-9-5-2-6-10-14)21-22-17(20-15)18-19-11-12-23-18/h1-12H
InChIKeyLVQZUQPYMAPPGD-UHFFFAOYSA-N
XLogP3.86
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(5,6-diphenyl-1,2,4-triazin-3-yl)-1,3-oxazole 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 2-(5,6-diphenyl-1,2,4-triazin-3-yl)-1,3-oxazole?
The IUPAC name of 2-(5,6-diphenyl-1,2,4-triazin-3-yl)-1,3-oxazole (CID 71374228) is 2-(5,6-diphenyl-1,2,4-triazin-3-yl)-1,3-oxazole.
What is the SMILES notation for 2-(5,6-diphenyl-1,2,4-triazin-3-yl)-1,3-oxazole?
The canonical SMILES for 2-(5,6-diphenyl-1,2,4-triazin-3-yl)-1,3-oxazole is c1ccc(-c2nnc(-c3ncco3)nc2-c2ccccc2)cc1.
What is the InChIKey of 2-(5,6-diphenyl-1,2,4-triazin-3-yl)-1,3-oxazole?
The InChIKey is LVQZUQPYMAPPGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12N4O/c1-3-7-13(8-4-1)15-16(14-9-5-2-6-10-14)21-22-17(20-15)18-19-11-12-23-18/h1-12H.
What are the key properties of 2-(5,6-diphenyl-1,2,4-triazin-3-yl)-1,3-oxazole?
2-(5,6-diphenyl-1,2,4-triazin-3-yl)-1,3-oxazole has a molecular weight of 300.32 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-diphenyl-1,2,4-triazin-3-yl)-1,3-oxazole is sourced from PubChem (CID 71374228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).