3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylsulfanylpropyl)propanamide

C17H29N3O2S — CID 26405187

IUPAC3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylsulfanylpropyl)propanamide
SMILESCSCCCNC(=O)CCc1nnc(CCC2CCCCC2)o1
InChIInChI=1S/C17H29N3O2S/c1-23-13-5-12-18-15(21)9-11-17-20-19-16(22-17)10-8-14-6-3-2-4-7-14/h14H,2-13H2,1H3,(H,18,21)
InChIKeyZIUYSGADXFTTFO-UHFFFAOYSA-N
MW339.51 g/mol
LogP3.38
Rot. Bonds10

About 3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylsulfanylpropyl)propanamide

3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylsulfanylpropyl)propanamide (PubChem CID 26405187) has the molecular formula C17H29N3O2S and a molecular weight of 339.51 g/mol. Its IUPAC name is 3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylsulfanylpropyl)propanamide.

Molecular Properties

Compound Name3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylsulfanylpropyl)propanamide
PubChem CID26405187
Molecular FormulaC17H29N3O2S
Molecular Weight339.51 g/mol
Exact Mass339.20
IUPAC Name3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylsulfanylpropyl)propanamide
SMILESCSCCCNC(=O)CCc1nnc(CCC2CCCCC2)o1
InChIInChI=1S/C17H29N3O2S/c1-23-13-5-12-18-15(21)9-11-17-20-19-16(22-17)10-8-14-6-3-2-4-7-14/h14H,2-13H2,1H3,(H,18,21)
InChIKeyZIUYSGADXFTTFO-UHFFFAOYSA-N
XLogP3.38
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.51
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylsulfanylpropyl)propanamide?
The IUPAC name of 3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylsulfanylpropyl)propanamide (CID 26405187) is 3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylsulfanylpropyl)propanamide.
What is the SMILES notation for 3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylsulfanylpropyl)propanamide?
The canonical SMILES for 3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylsulfanylpropyl)propanamide is CSCCCNC(=O)CCc1nnc(CCC2CCCCC2)o1.
What is the InChIKey of 3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylsulfanylpropyl)propanamide?
The InChIKey is ZIUYSGADXFTTFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O2S/c1-23-13-5-12-18-15(21)9-11-17-20-19-16(22-17)10-8-14-6-3-2-4-7-14/h14H,2-13H2,1H3,(H,18,21).
What are the key properties of 3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylsulfanylpropyl)propanamide?
3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylsulfanylpropyl)propanamide has a molecular weight of 339.51 g/mol, XLogP of 3.38, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2-cyclohexylethyl)-1,3,4-oxadiazol-2-yl]-N-(3-methylsulfanylpropyl)propanamide is sourced from PubChem (CID 26405187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).