4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzonitrile

C11H5F3N2OS — CID 106922380

IUPAC4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(Sc2ncco2)cc1C(F)(F)F
InChIInChI=1S/C11H5F3N2OS/c12-11(13,14)9-5-8(2-1-7(9)6-15)18-10-16-3-4-17-10/h1-5H
InChIKeyOGABXJAQDILCJD-UHFFFAOYSA-N
MW270.24 g/mol
LogP3.72
Rot. Bonds2

About 4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzonitrile

4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzonitrile (PubChem CID 106922380) has the molecular formula C11H5F3N2OS and a molecular weight of 270.24 g/mol. Its IUPAC name is 4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzonitrile.

Molecular Properties

Compound Name4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzonitrile
PubChem CID106922380
Molecular FormulaC11H5F3N2OS
Molecular Weight270.24 g/mol
Exact Mass270.01
IUPAC Name4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzonitrile
SMILESN#Cc1ccc(Sc2ncco2)cc1C(F)(F)F
InChIInChI=1S/C11H5F3N2OS/c12-11(13,14)9-5-8(2-1-7(9)6-15)18-10-16-3-4-17-10/h1-5H
InChIKeyOGABXJAQDILCJD-UHFFFAOYSA-N
XLogP3.72
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.24
LogP ≤ 53.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzonitrile 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-[(2,6-Difluorophenyl)methylsulfanyl]-1,3-oxazole
CID 67022476
2-[(2,5-Difluorophenyl)methylsulfanyl]-1,3-oxazole
CID 67022830
2-Fluoro-6-(1,3-oxazol-2-ylsulfanyl)benzonitrile
CID 106898488
3,5-Difluoro-4-(1,3-oxazol-2-ylsulfanyl)benzonitrile
CID 106922355
3-Fluoro-5-(1,3-oxazol-2-ylsulfanyl)benzonitrile
CID 106922363
3-Fluoro-4-(1,3-oxazol-2-ylsulfanyl)benzonitrile
CID 106922369
5-Fluoro-2-(1,3-oxazol-2-ylsulfanyl)benzonitrile
CID 106922373
2-(1,3-Oxazol-2-ylsulfanyl)-5-(trifluoromethyl)benzonitrile
CID 106922381
5-(1,3-Oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzonitrile
CID 106922384
4-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)benzonitrile
CID 106922422
5-[(4-Methyl-1,3-oxazol-2-yl)sulfanyl]-2-(trifluoromethyl)benzonitrile
CID 106922426
4-Fluoro-3-(1,3-oxazol-2-ylsulfanylmethyl)benzonitrile
CID 106922463

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzonitrile?
The IUPAC name of 4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzonitrile (CID 106922380) is 4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzonitrile.
What is the SMILES notation for 4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzonitrile?
The canonical SMILES for 4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzonitrile is N#Cc1ccc(Sc2ncco2)cc1C(F)(F)F.
What is the InChIKey of 4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzonitrile?
The InChIKey is OGABXJAQDILCJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5F3N2OS/c12-11(13,14)9-5-8(2-1-7(9)6-15)18-10-16-3-4-17-10/h1-5H.
What are the key properties of 4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzonitrile?
4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzonitrile has a molecular weight of 270.24 g/mol, XLogP of 3.72, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-oxazol-2-ylsulfanyl)-2-(trifluoromethyl)benzonitrile is sourced from PubChem (CID 106922380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).