2-fluoro-6-(1,3-oxazol-2-ylsulfanyl)benzonitrile

C10H5FN2OS — CID 106898488

IUPAC2-fluoro-6-(1,3-oxazol-2-ylsulfanyl)benzonitrile
SMILESN#Cc1c(F)cccc1Sc1ncco1
InChIInChI=1S/C10H5FN2OS/c11-8-2-1-3-9(7(8)6-12)15-10-13-4-5-14-10/h1-5H
InChIKeyJOAKSTACJKREID-UHFFFAOYSA-N
MW220.23 g/mol
LogP2.84
Rot. Bonds2

About 2-fluoro-6-(1,3-oxazol-2-ylsulfanyl)benzonitrile

2-fluoro-6-(1,3-oxazol-2-ylsulfanyl)benzonitrile (PubChem CID 106898488) has the molecular formula C10H5FN2OS and a molecular weight of 220.23 g/mol. Its IUPAC name is 2-fluoro-6-(1,3-oxazol-2-ylsulfanyl)benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-(1,3-oxazol-2-ylsulfanyl)benzonitrile
PubChem CID106898488
Molecular FormulaC10H5FN2OS
Molecular Weight220.23 g/mol
Exact Mass220.01
IUPAC Name2-fluoro-6-(1,3-oxazol-2-ylsulfanyl)benzonitrile
SMILESN#Cc1c(F)cccc1Sc1ncco1
InChIInChI=1S/C10H5FN2OS/c11-8-2-1-3-9(7(8)6-12)15-10-13-4-5-14-10/h1-5H
InChIKeyJOAKSTACJKREID-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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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-(1,3-oxazol-2-ylsulfanyl)benzonitrile?
The IUPAC name of 2-fluoro-6-(1,3-oxazol-2-ylsulfanyl)benzonitrile (CID 106898488) is 2-fluoro-6-(1,3-oxazol-2-ylsulfanyl)benzonitrile.
What is the SMILES notation for 2-fluoro-6-(1,3-oxazol-2-ylsulfanyl)benzonitrile?
The canonical SMILES for 2-fluoro-6-(1,3-oxazol-2-ylsulfanyl)benzonitrile is N#Cc1c(F)cccc1Sc1ncco1.
What is the InChIKey of 2-fluoro-6-(1,3-oxazol-2-ylsulfanyl)benzonitrile?
The InChIKey is JOAKSTACJKREID-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5FN2OS/c11-8-2-1-3-9(7(8)6-12)15-10-13-4-5-14-10/h1-5H.
What are the key properties of 2-fluoro-6-(1,3-oxazol-2-ylsulfanyl)benzonitrile?
2-fluoro-6-(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 2-fluoro-6-(1,3-oxazol-2-ylsulfanyl)benzonitrile is sourced from PubChem (CID 106898488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).