2-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]pyridine-4-carbonitrile

C12H11N3O — CID 139407498

IUPAC2-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]pyridine-4-carbonitrile
SMILESCc1cc(CCc2cc(C#N)ccn2)no1
InChIInChI=1S/C12H11N3O/c1-9-6-12(15-16-9)3-2-11-7-10(8-13)4-5-14-11/h4-7H,2-3H2,1H3
InChIKeyYGHLKUVOWYILNC-UHFFFAOYSA-N
MW213.24 g/mol
LogP2.03
Rot. Bonds3

About 2-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]pyridine-4-carbonitrile

2-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]pyridine-4-carbonitrile (PubChem CID 139407498) has the molecular formula C12H11N3O and a molecular weight of 213.24 g/mol. Its IUPAC name is 2-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]pyridine-4-carbonitrile.

Molecular Properties

Compound Name2-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]pyridine-4-carbonitrile
PubChem CID139407498
Molecular FormulaC12H11N3O
Molecular Weight213.24 g/mol
Exact Mass213.09
IUPAC Name2-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]pyridine-4-carbonitrile
SMILESCc1cc(CCc2cc(C#N)ccn2)no1
InChIInChI=1S/C12H11N3O/c1-9-6-12(15-16-9)3-2-11-7-10(8-13)4-5-14-11/h4-7H,2-3H2,1H3
InChIKeyYGHLKUVOWYILNC-UHFFFAOYSA-N
XLogP2.03
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.24
LogP ≤ 52.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]pyridine-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-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]pyridine-4-carbonitrile?
The IUPAC name of 2-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]pyridine-4-carbonitrile (CID 139407498) is 2-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]pyridine-4-carbonitrile.
What is the SMILES notation for 2-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]pyridine-4-carbonitrile?
The canonical SMILES for 2-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]pyridine-4-carbonitrile is Cc1cc(CCc2cc(C#N)ccn2)no1.
What is the InChIKey of 2-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]pyridine-4-carbonitrile?
The InChIKey is YGHLKUVOWYILNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O/c1-9-6-12(15-16-9)3-2-11-7-10(8-13)4-5-14-11/h4-7H,2-3H2,1H3.
What are the key properties of 2-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]pyridine-4-carbonitrile?
2-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]pyridine-4-carbonitrile has a molecular weight of 213.24 g/mol, XLogP of 2.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-methyl-1,2-oxazol-3-yl)ethyl]pyridine-4-carbonitrile is sourced from PubChem (CID 139407498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).