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

C16H10FN3O2S — CID 51202684

IUPAC2-fluoro-6-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]benzonitrile
SMILESCOc1ccc(-c2nnc(Sc3cccc(F)c3C#N)o2)cc1
InChIInChI=1S/C16H10FN3O2S/c1-21-11-7-5-10(6-8-11)15-19-20-16(22-15)23-14-4-2-3-13(17)12(14)9-18/h2-8H,1H3
InChIKeyVJEBULOMXBJDAL-UHFFFAOYSA-N
MW327.34 g/mol
LogP3.91
Rot. Bonds4

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

2-fluoro-6-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]benzonitrile (PubChem CID 51202684) has the molecular formula C16H10FN3O2S and a molecular weight of 327.34 g/mol. Its IUPAC name is 2-fluoro-6-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]benzonitrile.

Molecular Properties

Compound Name2-fluoro-6-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]benzonitrile
PubChem CID51202684
Molecular FormulaC16H10FN3O2S
Molecular Weight327.34 g/mol
Exact Mass327.05
IUPAC Name2-fluoro-6-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]benzonitrile
SMILESCOc1ccc(-c2nnc(Sc3cccc(F)c3C#N)o2)cc1
InChIInChI=1S/C16H10FN3O2S/c1-21-11-7-5-10(6-8-11)15-19-20-16(22-15)23-14-4-2-3-13(17)12(14)9-18/h2-8H,1H3
InChIKeyVJEBULOMXBJDAL-UHFFFAOYSA-N
XLogP3.91
TPSA71.94 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.34
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-2-carbonitrile
CID 133391782
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 2281056
(2-fluorophenyl) 2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetate
CID 78776785
2-(2-fluorophenyl)-5-[4-(4-methoxyphenyl)phenyl]-1,3,4-oxadiazole
CID 863660
2-[[2-(difluoromethoxy)phenyl]methylsulfanyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 17458845
2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid
CID 6472531
(2S)-2-[[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-(4-methoxyphenyl)propan-1-one
CID 7300720
2-(4-fluorophenyl)-5-[4-(4-methoxyphenyl)phenyl]-1,3,4-oxadiazole
CID 102032251
2-[(4-chlorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 855861
2-(4-chlorophenyl)-5-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-1,3,4-oxadiazole
CID 27920170
2-(4-methoxyphenyl)-5-[(1R)-1-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-1,3,4-oxadiazole
CID 8582003
2-[(4-bromo-2-fluorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 7170619

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-6-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]benzonitrile?
The IUPAC name of 2-fluoro-6-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]benzonitrile (CID 51202684) is 2-fluoro-6-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]benzonitrile.
What is the SMILES notation for 2-fluoro-6-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]benzonitrile?
The canonical SMILES for 2-fluoro-6-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]benzonitrile is COc1ccc(-c2nnc(Sc3cccc(F)c3C#N)o2)cc1.
What is the InChIKey of 2-fluoro-6-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]benzonitrile?
The InChIKey is VJEBULOMXBJDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10FN3O2S/c1-21-11-7-5-10(6-8-11)15-19-20-16(22-15)23-14-4-2-3-13(17)12(14)9-18/h2-8H,1H3.
What are the key properties of 2-fluoro-6-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]benzonitrile?
2-fluoro-6-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]benzonitrile has a molecular weight of 327.34 g/mol, XLogP of 3.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-6-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]benzonitrile is sourced from PubChem (CID 51202684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).