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

C20H22N2O2S — CID 75855804

IUPAC2-(3-phenoxypropylsulfanyl)-5-(2-phenylpropyl)-1,3,4-oxadiazole
SMILESCC(Cc1nnc(SCCCOc2ccccc2)o1)c1ccccc1
InChIInChI=1S/C20H22N2O2S/c1-16(17-9-4-2-5-10-17)15-19-21-22-20(24-19)25-14-8-13-23-18-11-6-3-7-12-18/h2-7,9-12,16H,8,13-15H2,1H3
InChIKeyPGPYMISMQNUZOZ-UHFFFAOYSA-N
MW354.48 g/mol
LogP4.98
Rot. Bonds9

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

2-(3-phenoxypropylsulfanyl)-5-(2-phenylpropyl)-1,3,4-oxadiazole (PubChem CID 75855804) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 2-(3-phenoxypropylsulfanyl)-5-(2-phenylpropyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-phenoxypropylsulfanyl)-5-(2-phenylpropyl)-1,3,4-oxadiazole
PubChem CID75855804
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name2-(3-phenoxypropylsulfanyl)-5-(2-phenylpropyl)-1,3,4-oxadiazole
SMILESCC(Cc1nnc(SCCCOc2ccccc2)o1)c1ccccc1
InChIInChI=1S/C20H22N2O2S/c1-16(17-9-4-2-5-10-17)15-19-21-22-20(24-19)25-14-8-13-23-18-11-6-3-7-12-18/h2-7,9-12,16H,8,13-15H2,1H3
InChIKeyPGPYMISMQNUZOZ-UHFFFAOYSA-N
XLogP4.98
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[2-(4-ethoxyphenoxy)ethylsulfanyl]-5-(2-phenylpropyl)-1,3,4-oxadiazole
CID 112786647
4-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]butanenitrile
CID 78766226
2-(2-phenylethylsulfanyl)-5-(2-phenylpropyl)-1,3,4-oxadiazole
CID 78766246
2-[2-(4-fluorophenyl)sulfanylethylsulfanyl]-5-(2-phenylpropyl)-1,3,4-oxadiazole
CID 112786762
2-methyl-5-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 78766183
2-[2-(2-nitrophenoxy)ethylsulfanyl]-5-(2-phenylpropyl)-1,3,4-oxadiazole
CID 60515973
2-[(2R)-2-phenylpropyl]-5-(2-thiomorpholin-4-ylethylsulfanyl)-1,3,4-oxadiazole
CID 97222518
2-[(2-chloro-1,3-thiazol-4-yl)methylsulfanyl]-5-[(2S)-2-phenylpropyl]-1,3,4-oxadiazole
CID 124884904
N-(4-phenylmethoxyphenyl)-2-[[5-(2-phenylpropyl)-1,3,4-oxadiazol-2-yl]sulfanyl]acetamide
CID 112786740
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
(2S)-2-methyl-4-[2-[[5-[(2S)-2-phenylpropyl]-1,3,4-oxadiazol-2-yl]sulfanyl]ethyl]-1,4-benzoxazin-3-one
CID 97090909

Frequently Asked Questions

What is the IUPAC name of 2-(3-phenoxypropylsulfanyl)-5-(2-phenylpropyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(3-phenoxypropylsulfanyl)-5-(2-phenylpropyl)-1,3,4-oxadiazole (CID 75855804) is 2-(3-phenoxypropylsulfanyl)-5-(2-phenylpropyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-phenoxypropylsulfanyl)-5-(2-phenylpropyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-phenoxypropylsulfanyl)-5-(2-phenylpropyl)-1,3,4-oxadiazole is CC(Cc1nnc(SCCCOc2ccccc2)o1)c1ccccc1.
What is the InChIKey of 2-(3-phenoxypropylsulfanyl)-5-(2-phenylpropyl)-1,3,4-oxadiazole?
The InChIKey is PGPYMISMQNUZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O2S/c1-16(17-9-4-2-5-10-17)15-19-21-22-20(24-19)25-14-8-13-23-18-11-6-3-7-12-18/h2-7,9-12,16H,8,13-15H2,1H3.
What are the key properties of 2-(3-phenoxypropylsulfanyl)-5-(2-phenylpropyl)-1,3,4-oxadiazole?
2-(3-phenoxypropylsulfanyl)-5-(2-phenylpropyl)-1,3,4-oxadiazole has a molecular weight of 354.48 g/mol, XLogP of 4.98, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-phenoxypropylsulfanyl)-5-(2-phenylpropyl)-1,3,4-oxadiazole is sourced from PubChem (CID 75855804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).