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'}

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Related Compounds

N-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]-N-methyl-3-phenoxypropan-1-amine
CID 60509136
3-cyclopropyl-5-[1-[(2-methylphenyl)methylsulfanyl]ethyl]-1,2,4-oxadiazole
CID 87018138
3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-2-methylpropan-1-ol
CID 111463884
3-cyclopropyl-5-[1-[[5-[(2,6-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole
CID 55845418
3-cyclopropyl-5-[1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 47053117
5-[1-[[5-(2-chlorophenyl)-4-(4-ethoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-3-cyclopropyl-1,2,4-oxadiazole
CID 55848157
3-cyclopropyl-5-[1-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,2,4-oxadiazole
CID 78900452
(R)-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898627
5-(4-butoxyphenyl)-3-(4-butylcyclohexyl)-1,2,4-oxadiazole
CID 3095315
5-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-N-(3-methoxyphenyl)-1,3,4-thiadiazol-2-amine
CID 60513606
3-cyclopropyl-5-[1-(1-phenylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylethyl]-1,2,4-oxadiazole
CID 60514365
3-cyclopropyl-5-[1-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole
CID 60516195

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).