3-pyridin-3-yl-1,2-oxazole-4-carbonitrile

C9H5N3O — CID 82280437

IUPAC3-pyridin-3-yl-1,2-oxazole-4-carbonitrile
SMILESN#Cc1conc1-c1cccnc1
InChIInChI=1S/C9H5N3O/c10-4-8-6-13-12-9(8)7-2-1-3-11-5-7/h1-3,5-6H
InChIKeyYHEVHSGUTZWMQH-UHFFFAOYSA-N
MW171.16 g/mol
LogP1.61
Rot. Bonds1

About 3-pyridin-3-yl-1,2-oxazole-4-carbonitrile

3-pyridin-3-yl-1,2-oxazole-4-carbonitrile (PubChem CID 82280437) has the molecular formula C9H5N3O and a molecular weight of 171.16 g/mol. Its IUPAC name is 3-pyridin-3-yl-1,2-oxazole-4-carbonitrile.

Molecular Properties

Compound Name3-pyridin-3-yl-1,2-oxazole-4-carbonitrile
PubChem CID82280437
Molecular FormulaC9H5N3O
Molecular Weight171.16 g/mol
Exact Mass171.04
IUPAC Name3-pyridin-3-yl-1,2-oxazole-4-carbonitrile
SMILESN#Cc1conc1-c1cccnc1
InChIInChI=1S/C9H5N3O/c10-4-8-6-13-12-9(8)7-2-1-3-11-5-7/h1-3,5-6H
InChIKeyYHEVHSGUTZWMQH-UHFFFAOYSA-N
XLogP1.61
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-pyridin-3-yl-1,2-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

Related Compounds

2-(3-pyridin-3-yl-1,2-oxazol-4-yl)ethanamine
CID 82281197
2,5-dipyridin-3-ylbenzonitrile
CID 46316425
1-(2-fluoroethyl)-3-pyridin-3-ylpyrazole-4-carbonitrile
CID 121213440
4-fluoro-2-pyridin-3-ylbenzonitrile
CID 46315558
3,5-dipyridin-3-ylpyridine-4-carbonitrile
CID 46316354
5-pyridin-3-yl-1H-imidazole-2-carbonitrile
CID 116879944
cyclopenta[c]azepine
CID 638010
4-[(E)-oct-1-enyl]-3-pyridin-3-yl-1,2-oxazole
CID 67284490
2-hydrazinyl-6-pyridin-3-ylpyridine-3-carbonitrile
CID 62252115
4-pyridin-3-yloxadiazole
CID 18516068
4,6-bis(3,5-dipyridin-3-ylphenyl)-2-pyridin-3-ylpyrimidine
CID 102345540
2,3-dipyridin-3-ylpyridine;ruthenium(3+);trichloride;hexahydrate
CID 175003948

Frequently Asked Questions

What is the IUPAC name of 3-pyridin-3-yl-1,2-oxazole-4-carbonitrile?
The IUPAC name of 3-pyridin-3-yl-1,2-oxazole-4-carbonitrile (CID 82280437) is 3-pyridin-3-yl-1,2-oxazole-4-carbonitrile.
What is the SMILES notation for 3-pyridin-3-yl-1,2-oxazole-4-carbonitrile?
The canonical SMILES for 3-pyridin-3-yl-1,2-oxazole-4-carbonitrile is N#Cc1conc1-c1cccnc1.
What is the InChIKey of 3-pyridin-3-yl-1,2-oxazole-4-carbonitrile?
The InChIKey is YHEVHSGUTZWMQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5N3O/c10-4-8-6-13-12-9(8)7-2-1-3-11-5-7/h1-3,5-6H.
What are the key properties of 3-pyridin-3-yl-1,2-oxazole-4-carbonitrile?
3-pyridin-3-yl-1,2-oxazole-4-carbonitrile has a molecular weight of 171.16 g/mol, XLogP of 1.61, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridin-3-yl-1,2-oxazole-4-carbonitrile is sourced from PubChem (CID 82280437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).