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

C21H14N4OS — CID 71212434

IUPAC4-[4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(CSc3nnc(-c4ccncc4)o3)cc2)cc1
InChIInChI=1S/C21H14N4OS/c22-13-15-1-5-17(6-2-15)18-7-3-16(4-8-18)14-27-21-25-24-20(26-21)19-9-11-23-12-10-19/h1-12H,14H2
InChIKeyUNXKPCQXZUAGGJ-UHFFFAOYSA-N
MW370.44 g/mol
LogP4.96
Rot. Bonds5

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

4-[4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]benzonitrile (PubChem CID 71212434) has the molecular formula C21H14N4OS and a molecular weight of 370.44 g/mol. Its IUPAC name is 4-[4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]benzonitrile.

Molecular Properties

Compound Name4-[4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]benzonitrile
PubChem CID71212434
Molecular FormulaC21H14N4OS
Molecular Weight370.44 g/mol
Exact Mass370.09
IUPAC Name4-[4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]benzonitrile
SMILESN#Cc1ccc(-c2ccc(CSc3nnc(-c4ccncc4)o3)cc2)cc1
InChIInChI=1S/C21H14N4OS/c22-13-15-1-5-17(6-2-15)18-7-3-16(4-8-18)14-27-21-25-24-20(26-21)19-9-11-23-12-10-19/h1-12H,14H2
InChIKeyUNXKPCQXZUAGGJ-UHFFFAOYSA-N
XLogP4.96
TPSA75.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.44
LogP ≤ 54.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

Pyridine, 4-[5-[(phenylmethyl)thio]-1,3,4-oxadiazol-2-yl]-
CID 805390
2-Chlorobenzyl 5-(4-pyridinyl)-1,3,4-oxadiazol-2-yl sulfide
CID 851256
4-(5-{[(3-Chlorophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)pyridine
CID 6539731
GSK-3 Inhibitor II
CID 6539732
(1R,2R)-N-(cyanomethyl)-2-({[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)cyclohexane-1-carboxamide
CID 10108990
N-(2,5-dimethylphenyl)-2-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamide
CID 934375
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
2-[4-({[5-(Pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)phenyl]acetic acid
CID 6539718
4-(5-{[(3-Fluorophenyl)methyl]sulfanyl}-1,3,4-oxadiazol-2-yl)pyridine
CID 6539734
Methyl 3-({[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}methyl)benzoate
CID 6539735
2-(5-Pyridin-4-yl-[1,3,4]oxadiazol-2-ylsulfanylmethyl)-benzonitrile
CID 1467928

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]benzonitrile?
The IUPAC name of 4-[4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]benzonitrile (CID 71212434) is 4-[4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]benzonitrile.
What is the SMILES notation for 4-[4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]benzonitrile?
The canonical SMILES for 4-[4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]benzonitrile is N#Cc1ccc(-c2ccc(CSc3nnc(-c4ccncc4)o3)cc2)cc1.
What is the InChIKey of 4-[4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]benzonitrile?
The InChIKey is UNXKPCQXZUAGGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N4OS/c22-13-15-1-5-17(6-2-15)18-7-3-16(4-8-18)14-27-21-25-24-20(26-21)19-9-11-23-12-10-19/h1-12H,14H2.
What are the key properties of 4-[4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]benzonitrile?
4-[4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]benzonitrile has a molecular weight of 370.44 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]phenyl]benzonitrile is sourced from PubChem (CID 71212434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).