2-phenyl-5-[1-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-1,3,4-oxadiazole

C21H20N4O2S — CID 78807371

IUPAC2-phenyl-5-[1-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-1,3,4-oxadiazole
SMILESCC(Cc1nnc(SC(C)c2nnc(-c3ccccc3)o2)o1)c1ccccc1
InChIInChI=1S/C21H20N4O2S/c1-14(16-9-5-3-6-10-16)13-18-22-25-21(26-18)28-15(2)19-23-24-20(27-19)17-11-7-4-8-12-17/h3-12,14-15H,13H2,1-2H3
InChIKeyTVHCWJBBHKKXOJ-UHFFFAOYSA-N
MW392.48 g/mol
LogP5.32
Rot. Bonds7

About 2-phenyl-5-[1-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-1,3,4-oxadiazole

2-phenyl-5-[1-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-1,3,4-oxadiazole (PubChem CID 78807371) has the molecular formula C21H20N4O2S and a molecular weight of 392.48 g/mol. Its IUPAC name is 2-phenyl-5-[1-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-[1-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-1,3,4-oxadiazole
PubChem CID78807371
Molecular FormulaC21H20N4O2S
Molecular Weight392.48 g/mol
Exact Mass392.13
IUPAC Name2-phenyl-5-[1-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-1,3,4-oxadiazole
SMILESCC(Cc1nnc(SC(C)c2nnc(-c3ccccc3)o2)o1)c1ccccc1
InChIInChI=1S/C21H20N4O2S/c1-14(16-9-5-3-6-10-16)13-18-22-25-21(26-18)28-15(2)19-23-24-20(27-19)17-11-7-4-8-12-17/h3-12,14-15H,13H2,1-2H3
InChIKeyTVHCWJBBHKKXOJ-UHFFFAOYSA-N
XLogP5.32
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.48
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 2-phenyl-5-[1-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-1,3,4-oxadiazole with MolForge

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Related Compounds

2-(4-fluorophenyl)-5-[(1S)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole
CID 7628166
2-(3-methylphenyl)-5-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole
CID 7629943
2-(3,4-dimethylphenyl)-5-[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]sulfanyl-1,3,4-oxadiazole
CID 7629590
2-(2-phenylethylsulfanyl)-5-(2-phenylpropyl)-1,3,4-oxadiazole
CID 78766246
4-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanenitrile
CID 78766226
2-[(4-methylphenoxy)methyl]-5-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethylsulfanyl]-1,3,4-oxadiazole
CID 55602706
2-methyl-5-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 78766183
2-[2-(4-fluorophenyl)sulfanylethylsulfanyl]-5-(2-phenylpropyl)-1,3,4-oxadiazole
CID 112786762
2-(3-phenoxypropylsulfanyl)-5-(2-phenylpropyl)-1,3,4-oxadiazole
CID 75855804
2-phenyl-5-(1-phenylpropan-2-yl)-1,3,4-oxadiazole
CID 71004200
2-(4-methoxyphenyl)-5-[(1R)-1-[[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-1,3,4-oxadiazole
CID 38843324
2-[1-(2-methoxyphenyl)sulfanylethyl]-5-phenyl-1,3,4-oxadiazole
CID 60593890

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-[1-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-[1-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-1,3,4-oxadiazole (CID 78807371) is 2-phenyl-5-[1-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-[1-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-[1-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-1,3,4-oxadiazole is CC(Cc1nnc(SC(C)c2nnc(-c3ccccc3)o2)o1)c1ccccc1.
What is the InChIKey of 2-phenyl-5-[1-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-1,3,4-oxadiazole?
The InChIKey is TVHCWJBBHKKXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2S/c1-14(16-9-5-3-6-10-16)13-18-22-25-21(26-18)28-15(2)19-23-24-20(27-19)17-11-7-4-8-12-17/h3-12,14-15H,13H2,1-2H3.
What are the key properties of 2-phenyl-5-[1-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-1,3,4-oxadiazole?
2-phenyl-5-[1-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-1,3,4-oxadiazole has a molecular weight of 392.48 g/mol, XLogP of 5.32, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-[1-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 78807371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).