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

C15H18N2OS — CID 87018138

IUPAC3-cyclopropyl-5-[1-[(2-methylphenyl)methylsulfanyl]ethyl]-1,2,4-oxadiazole
SMILESCc1ccccc1CSC(C)c1nc(C2CC2)no1
InChIInChI=1S/C15H18N2OS/c1-10-5-3-4-6-13(10)9-19-11(2)15-16-14(17-18-15)12-7-8-12/h3-6,11-12H,7-9H2,1-2H3
InChIKeyBCUQYBIHQSKIPL-UHFFFAOYSA-N
MW274.39 g/mol
LogP4.25
Rot. Bonds5

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

3-cyclopropyl-5-[1-[(2-methylphenyl)methylsulfanyl]ethyl]-1,2,4-oxadiazole (PubChem CID 87018138) has the molecular formula C15H18N2OS and a molecular weight of 274.39 g/mol. Its IUPAC name is 3-cyclopropyl-5-[1-[(2-methylphenyl)methylsulfanyl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[1-[(2-methylphenyl)methylsulfanyl]ethyl]-1,2,4-oxadiazole
PubChem CID87018138
Molecular FormulaC15H18N2OS
Molecular Weight274.39 g/mol
Exact Mass274.11
IUPAC Name3-cyclopropyl-5-[1-[(2-methylphenyl)methylsulfanyl]ethyl]-1,2,4-oxadiazole
SMILESCc1ccccc1CSC(C)c1nc(C2CC2)no1
InChIInChI=1S/C15H18N2OS/c1-10-5-3-4-6-13(10)9-19-11(2)15-16-14(17-18-15)12-7-8-12/h3-6,11-12H,7-9H2,1-2H3
InChIKeyBCUQYBIHQSKIPL-UHFFFAOYSA-N
XLogP4.25
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.39
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-cyclopropyl-5-[1-[(2-methylphenyl)methylsulfanyl]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

Related Compounds

3-cyclopropyl-5-[1-(2-phenoxyethylsulfanyl)ethyl]-1,2,4-oxadiazole
CID 87018157
3-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-2-methylpropan-1-ol
CID 111463884
3-cyclopropyl-5-[1-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole
CID 60513503
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
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-N-methyl-1-(2-methylphenyl)methanamine
CID 51076501
3-cyclopropyl-5-[1-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,2,4-oxadiazole
CID 78900452
5-cyclopropyl-3-[[(1S)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]sulfanylmethyl]-1,2,4-oxadiazole
CID 97228310
3-cyclopropyl-5-[1-[[4-(3,4-dimethylphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,2,4-oxadiazole
CID 60516195
(R)-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898627
3-(2-bromophenyl)-5-[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethylsulfanyl]-1,2,4-triazol-4-amine
CID 55840323
(1S)-1-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 66263723
3-cyclopropyl-5-[(2S)-3,3-dimethylbutan-2-yl]-1,2,4-oxadiazole
CID 58051730

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[1-[(2-methylphenyl)methylsulfanyl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[1-[(2-methylphenyl)methylsulfanyl]ethyl]-1,2,4-oxadiazole (CID 87018138) is 3-cyclopropyl-5-[1-[(2-methylphenyl)methylsulfanyl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[1-[(2-methylphenyl)methylsulfanyl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[1-[(2-methylphenyl)methylsulfanyl]ethyl]-1,2,4-oxadiazole is Cc1ccccc1CSC(C)c1nc(C2CC2)no1.
What is the InChIKey of 3-cyclopropyl-5-[1-[(2-methylphenyl)methylsulfanyl]ethyl]-1,2,4-oxadiazole?
The InChIKey is BCUQYBIHQSKIPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2OS/c1-10-5-3-4-6-13(10)9-19-11(2)15-16-14(17-18-15)12-7-8-12/h3-6,11-12H,7-9H2,1-2H3.
What are the key properties of 3-cyclopropyl-5-[1-[(2-methylphenyl)methylsulfanyl]ethyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[1-[(2-methylphenyl)methylsulfanyl]ethyl]-1,2,4-oxadiazole has a molecular weight of 274.39 g/mol, XLogP of 4.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[1-[(2-methylphenyl)methylsulfanyl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 87018138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).