2-(2-phenylethylsulfanyl)-5-(2-phenylpropyl)-1,3,4-oxadiazole

C19H20N2OS — CID 78766246

IUPAC2-(2-phenylethylsulfanyl)-5-(2-phenylpropyl)-1,3,4-oxadiazole
SMILESCC(Cc1nnc(SCCc2ccccc2)o1)c1ccccc1
InChIInChI=1S/C19H20N2OS/c1-15(17-10-6-3-7-11-17)14-18-20-21-19(22-18)23-13-12-16-8-4-2-5-9-16/h2-11,15H,12-14H2,1H3
InChIKeyWBHIBVITJHQXFQ-UHFFFAOYSA-N
MW324.45 g/mol
LogP4.75
Rot. Bonds7

About 2-(2-phenylethylsulfanyl)-5-(2-phenylpropyl)-1,3,4-oxadiazole

2-(2-phenylethylsulfanyl)-5-(2-phenylpropyl)-1,3,4-oxadiazole (PubChem CID 78766246) has the molecular formula C19H20N2OS and a molecular weight of 324.45 g/mol. Its IUPAC name is 2-(2-phenylethylsulfanyl)-5-(2-phenylpropyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-phenylethylsulfanyl)-5-(2-phenylpropyl)-1,3,4-oxadiazole
PubChem CID78766246
Molecular FormulaC19H20N2OS
Molecular Weight324.45 g/mol
Exact Mass324.13
IUPAC Name2-(2-phenylethylsulfanyl)-5-(2-phenylpropyl)-1,3,4-oxadiazole
SMILESCC(Cc1nnc(SCCc2ccccc2)o1)c1ccccc1
InChIInChI=1S/C19H20N2OS/c1-15(17-10-6-3-7-11-17)14-18-20-21-19(22-18)23-13-12-16-8-4-2-5-9-16/h2-11,15H,12-14H2,1H3
InChIKeyWBHIBVITJHQXFQ-UHFFFAOYSA-N
XLogP4.75
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.45
LogP ≤ 54.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-(2-phenylethylsulfanyl)-5-(2-phenylpropyl)-1,3,4-oxadiazole 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

4-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanenitrile
CID 78766226
2-(3-phenoxypropylsulfanyl)-5-(2-phenylpropyl)-1,3,4-oxadiazole
CID 75855804
2-[2-(4-fluorophenyl)sulfanylethylsulfanyl]-5-(2-phenylpropyl)-1,3,4-oxadiazole
CID 112786762
2-[(2R)-2-phenylpropyl]-5-(2-thiomorpholin-4-ylethylsulfanyl)-1,3,4-oxadiazole
CID 97222518
2-methyl-5-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 78766183
2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-5-(2-phenylpropyl)-1,3,4-oxadiazole
CID 112786647
2-[(2-chloro-1,3-thiazol-4-yl)methylsulfanyl]-5-[(2S)-2-phenylpropyl]-1,3,4-oxadiazole
CID 124884904
2-phenyl-5-[1-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-1,3,4-oxadiazole
CID 78807371
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-5-(2-phenylpropyl)-1,3,4-oxadiazole
CID 78766237
2-[2-(2-nitrophenoxy)ethylsulfanyl]-5-(2-phenylpropyl)-1,3,4-oxadiazole
CID 60515973
(2S)-2-methyl-4-[2-[[5-[(2S)-2-phenylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-1,4-benzoxazin-3-one
CID 97090909
2-methyl-4-[2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-1,4-benzoxazin-3-one
CID 71907302

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenylethylsulfanyl)-5-(2-phenylpropyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-phenylethylsulfanyl)-5-(2-phenylpropyl)-1,3,4-oxadiazole (CID 78766246) is 2-(2-phenylethylsulfanyl)-5-(2-phenylpropyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-phenylethylsulfanyl)-5-(2-phenylpropyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-phenylethylsulfanyl)-5-(2-phenylpropyl)-1,3,4-oxadiazole is CC(Cc1nnc(SCCc2ccccc2)o1)c1ccccc1.
What is the InChIKey of 2-(2-phenylethylsulfanyl)-5-(2-phenylpropyl)-1,3,4-oxadiazole?
The InChIKey is WBHIBVITJHQXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2OS/c1-15(17-10-6-3-7-11-17)14-18-20-21-19(22-18)23-13-12-16-8-4-2-5-9-16/h2-11,15H,12-14H2,1H3.
What are the key properties of 2-(2-phenylethylsulfanyl)-5-(2-phenylpropyl)-1,3,4-oxadiazole?
2-(2-phenylethylsulfanyl)-5-(2-phenylpropyl)-1,3,4-oxadiazole has a molecular weight of 324.45 g/mol, XLogP of 4.75, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-phenylethylsulfanyl)-5-(2-phenylpropyl)-1,3,4-oxadiazole is sourced from PubChem (CID 78766246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).