3-cyclopropyl-5-[1-(2-phenoxyethylsulfanyl)ethyl]-1,2,4-oxadiazole

C15H18N2O2S — CID 87018157

IUPAC3-cyclopropyl-5-[1-(2-phenoxyethylsulfanyl)ethyl]-1,2,4-oxadiazole
SMILESCC(SCCOc1ccccc1)c1nc(C2CC2)no1
InChIInChI=1S/C15H18N2O2S/c1-11(15-16-14(17-19-15)12-7-8-12)20-10-9-18-13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3
InChIKeyDZJUHEHJSRYATQ-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.82
Rot. Bonds7

About 3-cyclopropyl-5-[1-(2-phenoxyethylsulfanyl)ethyl]-1,2,4-oxadiazole

3-cyclopropyl-5-[1-(2-phenoxyethylsulfanyl)ethyl]-1,2,4-oxadiazole (PubChem CID 87018157) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 3-cyclopropyl-5-[1-(2-phenoxyethylsulfanyl)ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[1-(2-phenoxyethylsulfanyl)ethyl]-1,2,4-oxadiazole
PubChem CID87018157
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name3-cyclopropyl-5-[1-(2-phenoxyethylsulfanyl)ethyl]-1,2,4-oxadiazole
SMILESCC(SCCOc1ccccc1)c1nc(C2CC2)no1
InChIInChI=1S/C15H18N2O2S/c1-11(15-16-14(17-19-15)12-7-8-12)20-10-9-18-13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3
InChIKeyDZJUHEHJSRYATQ-UHFFFAOYSA-N
XLogP3.82
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 3-cyclopropyl-5-[1-(2-phenoxyethylsulfanyl)ethyl]-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[1-(2-phenoxyethylsulfanyl)ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[1-(2-phenoxyethylsulfanyl)ethyl]-1,2,4-oxadiazole (CID 87018157) is 3-cyclopropyl-5-[1-(2-phenoxyethylsulfanyl)ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[1-(2-phenoxyethylsulfanyl)ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[1-(2-phenoxyethylsulfanyl)ethyl]-1,2,4-oxadiazole is CC(SCCOc1ccccc1)c1nc(C2CC2)no1.
What is the InChIKey of 3-cyclopropyl-5-[1-(2-phenoxyethylsulfanyl)ethyl]-1,2,4-oxadiazole?
The InChIKey is DZJUHEHJSRYATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c1-11(15-16-14(17-19-15)12-7-8-12)20-10-9-18-13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3.
What are the key properties of 3-cyclopropyl-5-[1-(2-phenoxyethylsulfanyl)ethyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[1-(2-phenoxyethylsulfanyl)ethyl]-1,2,4-oxadiazole has a molecular weight of 290.39 g/mol, XLogP of 3.82, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[1-(2-phenoxyethylsulfanyl)ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 87018157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).