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

C10H5FN2OS — CID 106922369

IUPAC3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)benzonitrile
SMILESN#Cc1ccc(Sc2ncco2)c(F)c1
InChIInChI=1S/C10H5FN2OS/c11-8-5-7(6-12)1-2-9(8)15-10-13-3-4-14-10/h1-5H
InChIKeyZGSYPCHNYARBBZ-UHFFFAOYSA-N
MW220.23 g/mol
LogP2.84
Rot. Bonds2

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

3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)benzonitrile (PubChem CID 106922369) has the molecular formula C10H5FN2OS and a molecular weight of 220.23 g/mol. Its IUPAC name is 3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)benzonitrile.

Molecular Properties

Compound Name3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)benzonitrile
PubChem CID106922369
Molecular FormulaC10H5FN2OS
Molecular Weight220.23 g/mol
Exact Mass220.01
IUPAC Name3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)benzonitrile
SMILESN#Cc1ccc(Sc2ncco2)c(F)c1
InChIInChI=1S/C10H5FN2OS/c11-8-5-7(6-12)1-2-9(8)15-10-13-3-4-14-10/h1-5H
InChIKeyZGSYPCHNYARBBZ-UHFFFAOYSA-N
XLogP2.84
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2,6-Difluorophenyl)methylsulfanyl]-1,3-oxazole
CID 67022476
2-[(2,6-Difluoro-3-methylphenyl)methylsulfanyl]-1,3-oxazole
CID 67022564
2-[(2,5-Difluorophenyl)methylsulfinyl]-1,3-oxazole
CID 67022566
2-[(2,6-Difluorophenyl)methylsulfinyl]-1,3-oxazole
CID 67022683
2-[(2,6-Difluorophenyl)methylsulfonyl]-1,3-oxazole
CID 67022707
2-[(2,5-Difluorophenyl)methylsulfonyl]-1,3-oxazole
CID 67022731
2-[(2,5-Difluorophenyl)methylsulfanyl]-1,3-oxazole
CID 67022830
2-(4-Fluorophenyl)sulfinyl-1,3-oxazole
CID 146308017
2-Fluoro-6-(1,3-oxazol-2-ylsulfanyl)benzonitrile
CID 106898488
2-(3-Fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
CID 106921761
2-(4-Fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
CID 106921768
2-(2-Fluorophenyl)-2-(1,3-oxazol-2-ylsulfanyl)ethanamine
CID 106921840

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)benzonitrile?
The IUPAC name of 3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)benzonitrile (CID 106922369) is 3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)benzonitrile.
What is the SMILES notation for 3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)benzonitrile?
The canonical SMILES for 3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)benzonitrile is N#Cc1ccc(Sc2ncco2)c(F)c1.
What is the InChIKey of 3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)benzonitrile?
The InChIKey is ZGSYPCHNYARBBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5FN2OS/c11-8-5-7(6-12)1-2-9(8)15-10-13-3-4-14-10/h1-5H.
What are the key properties of 3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)benzonitrile?
3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)benzonitrile has a molecular weight of 220.23 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)benzonitrile is sourced from PubChem (CID 106922369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).