2-Methyl-1,3-oxazole-4-carbonitrile

C5H4N2O — CID 5324808

IUPAC2-methyl-1,3-oxazole-4-carbonitrile
SMILESCC1=NC(=CO1)C#N
InChIInChI=1S/C5H4N2O/c1-4-7-5(2-6)3-8-4/h3H,1H3
InChIKeyNVFTYSPOXDAKMQ-UHFFFAOYSA-N
MW108.10 g/mol
LogP0.80
Rot. Bonds

About 2-Methyl-1,3-oxazole-4-carbonitrile

2-Methyl-1,3-oxazole-4-carbonitrile (PubChem CID 5324808) has the molecular formula C5H4N2O and a molecular weight of 108.10 g/mol. Its IUPAC name is 2-methyl-1,3-oxazole-4-carbonitrile.

Molecular Properties

Compound Name2-Methyl-1,3-oxazole-4-carbonitrile
PubChem CID5324808
Molecular FormulaC5H4N2O
Molecular Weight108.10 g/mol
Exact Mass108.03
IUPAC Name2-methyl-1,3-oxazole-4-carbonitrile
SMILESCC1=NC(=CO1)C#N
InChIInChI=1S/C5H4N2O/c1-4-7-5(2-6)3-8-4/h3H,1H3
InChIKeyNVFTYSPOXDAKMQ-UHFFFAOYSA-N
XLogP0.80
TPSA49.80 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms8
Complexity126

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500108.10
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-Methyl-1,3-oxazole-4-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 2-Methyl-1,3-oxazole-4-carbonitrile?
The IUPAC name of 2-Methyl-1,3-oxazole-4-carbonitrile (CID 5324808) is 2-methyl-1,3-oxazole-4-carbonitrile.
What is the SMILES notation for 2-Methyl-1,3-oxazole-4-carbonitrile?
The canonical SMILES for 2-Methyl-1,3-oxazole-4-carbonitrile is CC1=NC(=CO1)C#N.
What is the InChIKey of 2-Methyl-1,3-oxazole-4-carbonitrile?
The InChIKey is NVFTYSPOXDAKMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H4N2O/c1-4-7-5(2-6)3-8-4/h3H,1H3.
What are the key properties of 2-Methyl-1,3-oxazole-4-carbonitrile?
2-Methyl-1,3-oxazole-4-carbonitrile has a molecular weight of 108.10 g/mol, XLogP of 0.80, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Methyl-1,3-oxazole-4-carbonitrile is sourced from PubChem (CID 5324808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).