3-fluoro-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzonitrile

C10H6FN3OS — CID 102818466

IUPAC3-fluoro-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzonitrile
SMILESCc1nnc(Sc2cc(F)cc(C#N)c2)o1
InChIInChI=1S/C10H6FN3OS/c1-6-13-14-10(15-6)16-9-3-7(5-12)2-8(11)4-9/h2-4H,1H3
InChIKeyILXNFZCOXVPXFR-UHFFFAOYSA-N
MW235.24 g/mol
LogP2.54
Rot. Bonds2

About 3-fluoro-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzonitrile

3-fluoro-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzonitrile (PubChem CID 102818466) has the molecular formula C10H6FN3OS and a molecular weight of 235.24 g/mol. Its IUPAC name is 3-fluoro-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzonitrile.

Molecular Properties

Compound Name3-fluoro-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzonitrile
PubChem CID102818466
Molecular FormulaC10H6FN3OS
Molecular Weight235.24 g/mol
Exact Mass235.02
IUPAC Name3-fluoro-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzonitrile
SMILESCc1nnc(Sc2cc(F)cc(C#N)c2)o1
InChIInChI=1S/C10H6FN3OS/c1-6-13-14-10(15-6)16-9-3-7(5-12)2-8(11)4-9/h2-4H,1H3
InChIKeyILXNFZCOXVPXFR-UHFFFAOYSA-N
XLogP2.54
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.24
LogP ≤ 52.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzonitrile?
The IUPAC name of 3-fluoro-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzonitrile (CID 102818466) is 3-fluoro-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzonitrile.
What is the SMILES notation for 3-fluoro-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzonitrile?
The canonical SMILES for 3-fluoro-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzonitrile is Cc1nnc(Sc2cc(F)cc(C#N)c2)o1.
What is the InChIKey of 3-fluoro-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzonitrile?
The InChIKey is ILXNFZCOXVPXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FN3OS/c1-6-13-14-10(15-6)16-9-3-7(5-12)2-8(11)4-9/h2-4H,1H3.
What are the key properties of 3-fluoro-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzonitrile?
3-fluoro-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzonitrile has a molecular weight of 235.24 g/mol, XLogP of 2.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzonitrile is sourced from PubChem (CID 102818466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).