3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)amino]pyrazine-2-carbonitrile

C13H9N5O2 — CID 75369410

IUPAC3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)amino]pyrazine-2-carbonitrile
SMILESCn1c(=O)oc2cc(Nc3nccnc3C#N)ccc21
InChIInChI=1S/C13H9N5O2/c1-18-10-3-2-8(6-11(10)20-13(18)19)17-12-9(7-14)15-4-5-16-12/h2-6H,1H3,(H,16,17)
InChIKeyGIFNKZWUURVFGY-UHFFFAOYSA-N
MW267.25 g/mol
LogP1.54
Rot. Bonds2

About 3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)amino]pyrazine-2-carbonitrile

3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)amino]pyrazine-2-carbonitrile (PubChem CID 75369410) has the molecular formula C13H9N5O2 and a molecular weight of 267.25 g/mol. Its IUPAC name is 3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)amino]pyrazine-2-carbonitrile.

Molecular Properties

Compound Name3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)amino]pyrazine-2-carbonitrile
PubChem CID75369410
Molecular FormulaC13H9N5O2
Molecular Weight267.25 g/mol
Exact Mass267.08
IUPAC Name3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)amino]pyrazine-2-carbonitrile
SMILESCn1c(=O)oc2cc(Nc3nccnc3C#N)ccc21
InChIInChI=1S/C13H9N5O2/c1-18-10-3-2-8(6-11(10)20-13(18)19)17-12-9(7-14)15-4-5-16-12/h2-6H,1H3,(H,16,17)
InChIKeyGIFNKZWUURVFGY-UHFFFAOYSA-N
XLogP1.54
TPSA96.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.25
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)amino]pyrazine-2-carbonitrile 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 3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)amino]pyrazine-2-carbonitrile?
The IUPAC name of 3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)amino]pyrazine-2-carbonitrile (CID 75369410) is 3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)amino]pyrazine-2-carbonitrile.
What is the SMILES notation for 3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)amino]pyrazine-2-carbonitrile?
The canonical SMILES for 3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)amino]pyrazine-2-carbonitrile is Cn1c(=O)oc2cc(Nc3nccnc3C#N)ccc21.
What is the InChIKey of 3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)amino]pyrazine-2-carbonitrile?
The InChIKey is GIFNKZWUURVFGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5O2/c1-18-10-3-2-8(6-11(10)20-13(18)19)17-12-9(7-14)15-4-5-16-12/h2-6H,1H3,(H,16,17).
What are the key properties of 3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)amino]pyrazine-2-carbonitrile?
3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)amino]pyrazine-2-carbonitrile has a molecular weight of 267.25 g/mol, XLogP of 1.54, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)amino]pyrazine-2-carbonitrile is sourced from PubChem (CID 75369410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).