2-fluoro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzonitrile

C10H6FN3OS — CID 79522451

IUPAC2-fluoro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzonitrile
SMILESCc1nnc(Sc2cccc(F)c2C#N)o1
InChIInChI=1S/C10H6FN3OS/c1-6-13-14-10(15-6)16-9-4-2-3-8(11)7(9)5-12/h2-4H,1H3
InChIKeyQCCNZHITKOIABG-UHFFFAOYSA-N
MW235.24 g/mol
LogP2.54
Rot. Bonds2

About 2-fluoro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzonitrile

2-fluoro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzonitrile (PubChem CID 79522451) has the molecular formula C10H6FN3OS and a molecular weight of 235.24 g/mol. Its IUPAC name is 2-fluoro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzonitrile
PubChem CID79522451
Molecular FormulaC10H6FN3OS
Molecular Weight235.24 g/mol
Exact Mass235.02
IUPAC Name2-fluoro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzonitrile
SMILESCc1nnc(Sc2cccc(F)c2C#N)o1
InChIInChI=1S/C10H6FN3OS/c1-6-13-14-10(15-6)16-9-4-2-3-8(11)7(9)5-12/h2-4H,1H3
InChIKeyQCCNZHITKOIABG-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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Related Compounds

2-fluoro-6-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]benzonitrile
CID 51202684
1-[2-fluoro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]ethanamine
CID 55053395
2-fluoro-6-(4,5,6-trimethylpyrimidin-2-yl)sulfanylbenzonitrile
CID 78911034
4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzonitrile
CID 62254890
2-(4-tert-butylphenyl)sulfanyl-6-fluorobenzonitrile
CID 79523105
3-fluoro-5-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzonitrile
CID 102818466
2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-6-fluorobenzonitrile
CID 9030085
2-fluoro-6-[(4-methyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]benzonitrile
CID 79522608
2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]-6-(trifluoromethyl)pyridine-3-carbonitrile
CID 79877203
2-chloro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzaldehyde
CID 63802046
2-amino-N,N-dimethyl-3-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzenesulfonamide
CID 107117315
(1R)-1-[2-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]phenyl]propan-1-amine
CID 103959551

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzonitrile?
The IUPAC name of 2-fluoro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzonitrile (CID 79522451) is 2-fluoro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzonitrile?
The canonical SMILES for 2-fluoro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzonitrile is Cc1nnc(Sc2cccc(F)c2C#N)o1.
What is the InChIKey of 2-fluoro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzonitrile?
The InChIKey is QCCNZHITKOIABG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6FN3OS/c1-6-13-14-10(15-6)16-9-4-2-3-8(11)7(9)5-12/h2-4H,1H3.
What are the key properties of 2-fluoro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzonitrile?
2-fluoro-6-[(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 2-fluoro-6-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzonitrile is sourced from PubChem (CID 79522451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).