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

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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).