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

C10H8N4OS — CID 3219524

IUPAC2-[[5-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile
SMILESN#CCSc1nnc(Cc2ccccn2)o1
InChIInChI=1S/C10H8N4OS/c11-4-6-16-10-14-13-9(15-10)7-8-3-1-2-5-12-8/h1-3,5H,6-7H2
InChIKeyBBHBVCBFGRMPAA-UHFFFAOYSA-N
MW232.27 g/mol
LogP1.67
Rot. Bonds4

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

2-[[5-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile (PubChem CID 3219524) has the molecular formula C10H8N4OS and a molecular weight of 232.27 g/mol. Its IUPAC name is 2-[[5-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile.

Molecular Properties

Compound Name2-[[5-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile
PubChem CID3219524
Molecular FormulaC10H8N4OS
Molecular Weight232.27 g/mol
Exact Mass232.04
IUPAC Name2-[[5-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile
SMILESN#CCSc1nnc(Cc2ccccn2)o1
InChIInChI=1S/C10H8N4OS/c11-4-6-16-10-14-13-9(15-10)7-8-3-1-2-5-12-8/h1-3,5H,6-7H2
InChIKeyBBHBVCBFGRMPAA-UHFFFAOYSA-N
XLogP1.67
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.27
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[5-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile?
The IUPAC name of 2-[[5-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile (CID 3219524) is 2-[[5-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile.
What is the SMILES notation for 2-[[5-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile?
The canonical SMILES for 2-[[5-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile is N#CCSc1nnc(Cc2ccccn2)o1.
What is the InChIKey of 2-[[5-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile?
The InChIKey is BBHBVCBFGRMPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N4OS/c11-4-6-16-10-14-13-9(15-10)7-8-3-1-2-5-12-8/h1-3,5H,6-7H2.
What are the key properties of 2-[[5-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile?
2-[[5-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile has a molecular weight of 232.27 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(pyridin-2-ylmethyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetonitrile is sourced from PubChem (CID 3219524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).