1,3-oxazole;7-pyridin-2-yl-1H-diazepine

C13H12N4O — CID 122574557

IUPAC1,3-oxazole;7-pyridin-2-yl-1H-diazepine
SMILESC1=CC=C(c2ccccn2)NN=C1.c1cocn1
InChIInChI=1S/C10H9N3.C3H3NO/c1-3-7-11-9(5-1)10-6-2-4-8-12-13-10;1-2-5-3-4-1/h1-8,13H;1-3H
InChIKeyDTPHFKJROMJVPW-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.24
Rot. Bonds1

About 1,3-oxazole;7-pyridin-2-yl-1H-diazepine

1,3-oxazole;7-pyridin-2-yl-1H-diazepine (PubChem CID 122574557) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is 1,3-oxazole;7-pyridin-2-yl-1H-diazepine.

Molecular Properties

Compound Name1,3-oxazole;7-pyridin-2-yl-1H-diazepine
PubChem CID122574557
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC Name1,3-oxazole;7-pyridin-2-yl-1H-diazepine
SMILESC1=CC=C(c2ccccn2)NN=C1.c1cocn1
InChIInChI=1S/C10H9N3.C3H3NO/c1-3-7-11-9(5-1)10-6-2-4-8-12-13-10;1-2-5-3-4-1/h1-8,13H;1-3H
InChIKeyDTPHFKJROMJVPW-UHFFFAOYSA-N
XLogP2.24
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1,3-oxazole;7-pyridin-2-yl-1H-diazepine 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 1,3-oxazole;7-pyridin-2-yl-1H-diazepine?
The IUPAC name of 1,3-oxazole;7-pyridin-2-yl-1H-diazepine (CID 122574557) is 1,3-oxazole;7-pyridin-2-yl-1H-diazepine.
What is the SMILES notation for 1,3-oxazole;7-pyridin-2-yl-1H-diazepine?
The canonical SMILES for 1,3-oxazole;7-pyridin-2-yl-1H-diazepine is C1=CC=C(c2ccccn2)NN=C1.c1cocn1.
What is the InChIKey of 1,3-oxazole;7-pyridin-2-yl-1H-diazepine?
The InChIKey is DTPHFKJROMJVPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3.C3H3NO/c1-3-7-11-9(5-1)10-6-2-4-8-12-13-10;1-2-5-3-4-1/h1-8,13H;1-3H.
What are the key properties of 1,3-oxazole;7-pyridin-2-yl-1H-diazepine?
1,3-oxazole;7-pyridin-2-yl-1H-diazepine has a molecular weight of 240.27 g/mol, XLogP of 2.24, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-oxazole;7-pyridin-2-yl-1H-diazepine is sourced from PubChem (CID 122574557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).