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

C15H10N4O2S — CID 133391782

IUPAC6-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-2-carbonitrile
SMILESCOc1ccc(-c2nnc(Sc3cccc(C#N)n3)o2)cc1
InChIInChI=1S/C15H10N4O2S/c1-20-12-7-5-10(6-8-12)14-18-19-15(21-14)22-13-4-2-3-11(9-16)17-13/h2-8H,1H3
InChIKeyCJWGBQSISOVLBH-UHFFFAOYSA-N
MW310.34 g/mol
LogP3.16
Rot. Bonds4

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

6-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-2-carbonitrile (PubChem CID 133391782) has the molecular formula C15H10N4O2S and a molecular weight of 310.34 g/mol. Its IUPAC name is 6-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-2-carbonitrile.

Molecular Properties

Compound Name6-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-2-carbonitrile
PubChem CID133391782
Molecular FormulaC15H10N4O2S
Molecular Weight310.34 g/mol
Exact Mass310.05
IUPAC Name6-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-2-carbonitrile
SMILESCOc1ccc(-c2nnc(Sc3cccc(C#N)n3)o2)cc1
InChIInChI=1S/C15H10N4O2S/c1-20-12-7-5-10(6-8-12)14-18-19-15(21-14)22-13-4-2-3-11(9-16)17-13/h2-8H,1H3
InChIKeyCJWGBQSISOVLBH-UHFFFAOYSA-N
XLogP3.16
TPSA84.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.34
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-fluoro-6-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]benzonitrile
CID 51202684
6-[[5-(5-chlorothiophen-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-2-carbonitrile
CID 133392662
6-[[5-[(3,4-dimethoxyphenyl)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-2-carbonitrile
CID 133392550
2-(1,3-benzothiazol-2-ylsulfanyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 78805429
2-[3,5-bis[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 638609
2-[(2-chloro-6-fluorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 2281056
2-[2-(2,6-dimethylphenoxy)ethylsulfanyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 2555942
2-[(3-chlorophenyl)methylsulfanyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 7241917
(2R)-1-(4-methoxyphenyl)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one
CID 7241900
3-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 3298737
2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanoic acid
CID 6472531
2-(4-methoxyphenyl)-5-[4-(4-methylsulfanylphenyl)phenyl]-1,3,4-oxadiazole
CID 102032244

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-2-carbonitrile?
The IUPAC name of 6-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-2-carbonitrile (CID 133391782) is 6-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-2-carbonitrile.
What is the SMILES notation for 6-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-2-carbonitrile?
The canonical SMILES for 6-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-2-carbonitrile is COc1ccc(-c2nnc(Sc3cccc(C#N)n3)o2)cc1.
What is the InChIKey of 6-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-2-carbonitrile?
The InChIKey is CJWGBQSISOVLBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4O2S/c1-20-12-7-5-10(6-8-12)14-18-19-15(21-14)22-13-4-2-3-11(9-16)17-13/h2-8H,1H3.
What are the key properties of 6-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-2-carbonitrile?
6-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-2-carbonitrile has a molecular weight of 310.34 g/mol, XLogP of 3.16, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]pyridine-2-carbonitrile is sourced from PubChem (CID 133391782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).