4-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanenitrile

C11H10N4OS — CID 652260

IUPAC4-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanenitrile
SMILESN#CCCCSc1nnc(-c2ccccn2)o1
InChIInChI=1S/C11H10N4OS/c12-6-2-4-8-17-11-15-14-10(16-11)9-5-1-3-7-13-9/h1,3,5,7H,2,4,8H2
InChIKeyFBSZGYKMWNEYLA-UHFFFAOYSA-N
MW246.29 g/mol
LogP2.53
Rot. Bonds5

About 4-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanenitrile

4-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanenitrile (PubChem CID 652260) has the molecular formula C11H10N4OS and a molecular weight of 246.29 g/mol. Its IUPAC name is 4-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanenitrile.

Molecular Properties

Compound Name4-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanenitrile
PubChem CID652260
Molecular FormulaC11H10N4OS
Molecular Weight246.29 g/mol
Exact Mass246.06
IUPAC Name4-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanenitrile
SMILESN#CCCCSc1nnc(-c2ccccn2)o1
InChIInChI=1S/C11H10N4OS/c12-6-2-4-8-17-11-15-14-10(16-11)9-5-1-3-7-13-9/h1,3,5,7H,2,4,8H2
InChIKeyFBSZGYKMWNEYLA-UHFFFAOYSA-N
XLogP2.53
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.29
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanenitrile?
The IUPAC name of 4-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanenitrile (CID 652260) is 4-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanenitrile.
What is the SMILES notation for 4-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanenitrile?
The canonical SMILES for 4-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanenitrile is N#CCCCSc1nnc(-c2ccccn2)o1.
What is the InChIKey of 4-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanenitrile?
The InChIKey is FBSZGYKMWNEYLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4OS/c12-6-2-4-8-17-11-15-14-10(16-11)9-5-1-3-7-13-9/h1,3,5,7H,2,4,8H2.
What are the key properties of 4-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanenitrile?
4-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanenitrile has a molecular weight of 246.29 g/mol, XLogP of 2.53, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-pyridin-2-yl-1,3,4-oxadiazol-2-yl)sulfanyl]butanenitrile is sourced from PubChem (CID 652260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).