3-(2-phenylpropyl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-one

C15H14N2O2S — CID 119033318

IUPAC3-(2-phenylpropyl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
SMILESCC(Cn1nc(-c2cccs2)oc1=O)c1ccccc1
InChIInChI=1S/C15H14N2O2S/c1-11(12-6-3-2-4-7-12)10-17-15(18)19-14(16-17)13-8-5-9-20-13/h2-9,11H,10H2,1H3
InChIKeyHFAMVEFESPUJAA-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.37
Rot. Bonds4

About 3-(2-phenylpropyl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-one

3-(2-phenylpropyl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-one (PubChem CID 119033318) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is 3-(2-phenylpropyl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-(2-phenylpropyl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
PubChem CID119033318
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC Name3-(2-phenylpropyl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
SMILESCC(Cn1nc(-c2cccs2)oc1=O)c1ccccc1
InChIInChI=1S/C15H14N2O2S/c1-11(12-6-3-2-4-7-12)10-17-15(18)19-14(16-17)13-8-5-9-20-13/h2-9,11H,10H2,1H3
InChIKeyHFAMVEFESPUJAA-UHFFFAOYSA-N
XLogP3.37
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2S)-2-aminobutyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
CID 95849400
N-(2-methyl-1-phenylpropyl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 51288245
N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propan-2-yl]thiophene-2-carboxamide
CID 46959372
2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide
CID 40790864
N-(2-methylpropyl)-2-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)acetamide
CID 36764449
(3-propan-2-ylphenyl) 3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoate
CID 9488900
5-thiophen-2-yl-3-[(2,4,6-trimethylphenyl)methyl]-1,3,4-oxadiazol-2-one
CID 60590586
3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanamide
CID 134025163
3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)-N-(2-propan-2-ylphenyl)propanamide
CID 17397101
[1-(N-methylanilino)-1-oxopropan-2-yl] 3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoate
CID 42920931
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 3-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propanoate
CID 36989883
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propan-2-yl]propanamide
CID 16671800

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylpropyl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-(2-phenylpropyl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-one (CID 119033318) is 3-(2-phenylpropyl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-(2-phenylpropyl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-(2-phenylpropyl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-one is CC(Cn1nc(-c2cccs2)oc1=O)c1ccccc1.
What is the InChIKey of 3-(2-phenylpropyl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-one?
The InChIKey is HFAMVEFESPUJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-11(12-6-3-2-4-7-12)10-17-15(18)19-14(16-17)13-8-5-9-20-13/h2-9,11H,10H2,1H3.
What are the key properties of 3-(2-phenylpropyl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-one?
3-(2-phenylpropyl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-one has a molecular weight of 286.36 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylpropyl)-5-thiophen-2-yl-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 119033318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).