3,5-difluoro-4-(1,3-oxazol-2-ylsulfanyl)benzonitrile

C10H4F2N2OS — CID 106922355

IUPAC3,5-difluoro-4-(1,3-oxazol-2-ylsulfanyl)benzonitrile
SMILESN#Cc1cc(F)c(Sc2ncco2)c(F)c1
InChIInChI=1S/C10H4F2N2OS/c11-7-3-6(5-13)4-8(12)9(7)16-10-14-1-2-15-10/h1-4H
InChIKeyAXOQXGCEMBXJDU-UHFFFAOYSA-N
MW238.22 g/mol
LogP2.98
Rot. Bonds2

About 3,5-difluoro-4-(1,3-oxazol-2-ylsulfanyl)benzonitrile

3,5-difluoro-4-(1,3-oxazol-2-ylsulfanyl)benzonitrile (PubChem CID 106922355) has the molecular formula C10H4F2N2OS and a molecular weight of 238.22 g/mol. Its IUPAC name is 3,5-difluoro-4-(1,3-oxazol-2-ylsulfanyl)benzonitrile.

Molecular Properties

Compound Name3,5-difluoro-4-(1,3-oxazol-2-ylsulfanyl)benzonitrile
PubChem CID106922355
Molecular FormulaC10H4F2N2OS
Molecular Weight238.22 g/mol
Exact Mass238.00
IUPAC Name3,5-difluoro-4-(1,3-oxazol-2-ylsulfanyl)benzonitrile
SMILESN#Cc1cc(F)c(Sc2ncco2)c(F)c1
InChIInChI=1S/C10H4F2N2OS/c11-7-3-6(5-13)4-8(12)9(7)16-10-14-1-2-15-10/h1-4H
InChIKeyAXOQXGCEMBXJDU-UHFFFAOYSA-N
XLogP2.98
TPSA49.82 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.22
LogP ≤ 52.98
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-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
3-Fluoro-5-(1,3-oxazol-2-ylsulfanyl)benzonitrile
CID 106922363

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-4-(1,3-oxazol-2-ylsulfanyl)benzonitrile?
The IUPAC name of 3,5-difluoro-4-(1,3-oxazol-2-ylsulfanyl)benzonitrile (CID 106922355) is 3,5-difluoro-4-(1,3-oxazol-2-ylsulfanyl)benzonitrile.
What is the SMILES notation for 3,5-difluoro-4-(1,3-oxazol-2-ylsulfanyl)benzonitrile?
The canonical SMILES for 3,5-difluoro-4-(1,3-oxazol-2-ylsulfanyl)benzonitrile is N#Cc1cc(F)c(Sc2ncco2)c(F)c1.
What is the InChIKey of 3,5-difluoro-4-(1,3-oxazol-2-ylsulfanyl)benzonitrile?
The InChIKey is AXOQXGCEMBXJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F2N2OS/c11-7-3-6(5-13)4-8(12)9(7)16-10-14-1-2-15-10/h1-4H.
What are the key properties of 3,5-difluoro-4-(1,3-oxazol-2-ylsulfanyl)benzonitrile?
3,5-difluoro-4-(1,3-oxazol-2-ylsulfanyl)benzonitrile has a molecular weight of 238.22 g/mol, XLogP of 2.98, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-4-(1,3-oxazol-2-ylsulfanyl)benzonitrile is sourced from PubChem (CID 106922355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).