4-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzonitrile

C15H10N4OS — CID 1467979

IUPAC4-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzonitrile
SMILESN#Cc1ccc(CSc2nnc(-c3cccnc3)o2)cc1
InChIInChI=1S/C15H10N4OS/c16-8-11-3-5-12(6-4-11)10-21-15-19-18-14(20-15)13-2-1-7-17-9-13/h1-7,9H,10H2
InChIKeyDFZFONMFFWUHJV-UHFFFAOYSA-N
MW294.34 g/mol
LogP3.30
Rot. Bonds4

About 4-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzonitrile

4-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzonitrile (PubChem CID 1467979) has the molecular formula C15H10N4OS and a molecular weight of 294.34 g/mol. Its IUPAC name is 4-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzonitrile.

Molecular Properties

Compound Name4-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzonitrile
PubChem CID1467979
Molecular FormulaC15H10N4OS
Molecular Weight294.34 g/mol
Exact Mass294.06
IUPAC Name4-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzonitrile
SMILESN#Cc1ccc(CSc2nnc(-c3cccnc3)o2)cc1
InChIInChI=1S/C15H10N4OS/c16-8-11-3-5-12(6-4-11)10-21-15-19-18-14(20-15)13-2-1-7-17-9-13/h1-7,9H,10H2
InChIKeyDFZFONMFFWUHJV-UHFFFAOYSA-N
XLogP3.30
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 53.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-Pyridyl)-5-(4-tolyl)-1,3,4-oxadiazole
CID 853396
Pyridine, 4-[5-[(phenylmethyl)thio]-1,3,4-oxadiazol-2-yl]-
CID 805390
GSK-3 Inhibitor II
CID 6539732
2-[(4-Nitrophenyl)methylsulfanyl]-5-pyridin-3-yl-1,3,4-oxadiazole
CID 779799
Methyl 4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzoate
CID 888648
4-{5-[(4-Fluorobenzyl)thio]-1,3,4-oxadiazol-2-yl}pyridine
CID 975378
4-(5-{[(3-Fluorophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)pyridine
CID 6539734
1-Piperidin-1-yl-2-(5-pyridin-3-yl-[1,3,4]oxadiazol-2-ylsulfanyl)-ethanone
CID 1071908
2-(5-Pyridin-4-yl-[1,3,4]oxadiazol-2-ylsulfanylmethyl)-benzonitrile
CID 1467928
N-cyclopentyl-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 16298011
N-(4-methylcyclohexyl)-2-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanyl]acetamide
CID 16303439
3-[5-(3-Phenyl-allylsulfanyl)-[1,3,4]oxadiazol-2-yl]-pyridine
CID 1581526

Frequently Asked Questions

What is the IUPAC name of 4-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzonitrile?
The IUPAC name of 4-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzonitrile (CID 1467979) is 4-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzonitrile.
What is the SMILES notation for 4-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzonitrile?
The canonical SMILES for 4-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzonitrile is N#Cc1ccc(CSc2nnc(-c3cccnc3)o2)cc1.
What is the InChIKey of 4-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzonitrile?
The InChIKey is DFZFONMFFWUHJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N4OS/c16-8-11-3-5-12(6-4-11)10-21-15-19-18-14(20-15)13-2-1-7-17-9-13/h1-7,9H,10H2.
What are the key properties of 4-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzonitrile?
4-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzonitrile has a molecular weight of 294.34 g/mol, XLogP of 3.30, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]benzonitrile is sourced from PubChem (CID 1467979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).