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

C10H7N3OS — CID 62254890

IUPAC4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzonitrile
SMILESCc1nnc(Sc2ccc(C#N)cc2)o1
InChIInChI=1S/C10H7N3OS/c1-7-12-13-10(14-7)15-9-4-2-8(6-11)3-5-9/h2-5H,1H3
InChIKeyVSFUMTFLCCEGAV-UHFFFAOYSA-N
MW217.25 g/mol
LogP2.40
Rot. Bonds2

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

4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzonitrile (PubChem CID 62254890) has the molecular formula C10H7N3OS and a molecular weight of 217.25 g/mol. Its IUPAC name is 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzonitrile.

Molecular Properties

Compound Name4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzonitrile
PubChem CID62254890
Molecular FormulaC10H7N3OS
Molecular Weight217.25 g/mol
Exact Mass217.03
IUPAC Name4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzonitrile
SMILESCc1nnc(Sc2ccc(C#N)cc2)o1
InChIInChI=1S/C10H7N3OS/c1-7-12-13-10(14-7)15-9-4-2-8(6-11)3-5-9/h2-5H,1H3
InChIKeyVSFUMTFLCCEGAV-UHFFFAOYSA-N
XLogP2.40
TPSA62.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.25
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzonitrile?
The IUPAC name of 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzonitrile (CID 62254890) is 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzonitrile.
What is the SMILES notation for 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzonitrile?
The canonical SMILES for 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzonitrile is Cc1nnc(Sc2ccc(C#N)cc2)o1.
What is the InChIKey of 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzonitrile?
The InChIKey is VSFUMTFLCCEGAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7N3OS/c1-7-12-13-10(14-7)15-9-4-2-8(6-11)3-5-9/h2-5H,1H3.
What are the key properties of 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzonitrile?
4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzonitrile has a molecular weight of 217.25 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]benzonitrile is sourced from PubChem (CID 62254890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).