3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1-(1-methylpyrazol-4-yl)piperidin-2-one

C15H19N5O2S — CID 71870474

IUPAC3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1-(1-methylpyrazol-4-yl)piperidin-2-one
SMILESCn1cc(N2CCCC(SCc3nc(C4CC4)no3)C2=O)cn1
InChIInChI=1S/C15H19N5O2S/c1-19-8-11(7-16-19)20-6-2-3-12(15(20)21)23-9-13-17-14(18-22-13)10-4-5-10/h7-8,10,12H,2-6,9H2,1H3
InChIKeyAIHPWZKYVZEWHL-UHFFFAOYSA-N
MW333.42 g/mol
LogP2.11
Rot. Bonds5

About 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1-(1-methylpyrazol-4-yl)piperidin-2-one

3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1-(1-methylpyrazol-4-yl)piperidin-2-one (PubChem CID 71870474) has the molecular formula C15H19N5O2S and a molecular weight of 333.42 g/mol. Its IUPAC name is 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1-(1-methylpyrazol-4-yl)piperidin-2-one.

Molecular Properties

Compound Name3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1-(1-methylpyrazol-4-yl)piperidin-2-one
PubChem CID71870474
Molecular FormulaC15H19N5O2S
Molecular Weight333.42 g/mol
Exact Mass333.13
IUPAC Name3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1-(1-methylpyrazol-4-yl)piperidin-2-one
SMILESCn1cc(N2CCCC(SCc3nc(C4CC4)no3)C2=O)cn1
InChIInChI=1S/C15H19N5O2S/c1-19-8-11(7-16-19)20-6-2-3-12(15(20)21)23-9-13-17-14(18-22-13)10-4-5-10/h7-8,10,12H,2-6,9H2,1H3
InChIKeyAIHPWZKYVZEWHL-UHFFFAOYSA-N
XLogP2.11
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.42
LogP ≤ 52.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1-(1-methylpyrazol-4-yl)piperidin-2-one?
The IUPAC name of 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1-(1-methylpyrazol-4-yl)piperidin-2-one (CID 71870474) is 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1-(1-methylpyrazol-4-yl)piperidin-2-one.
What is the SMILES notation for 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1-(1-methylpyrazol-4-yl)piperidin-2-one?
The canonical SMILES for 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1-(1-methylpyrazol-4-yl)piperidin-2-one is Cn1cc(N2CCCC(SCc3nc(C4CC4)no3)C2=O)cn1.
What is the InChIKey of 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1-(1-methylpyrazol-4-yl)piperidin-2-one?
The InChIKey is AIHPWZKYVZEWHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N5O2S/c1-19-8-11(7-16-19)20-6-2-3-12(15(20)21)23-9-13-17-14(18-22-13)10-4-5-10/h7-8,10,12H,2-6,9H2,1H3.
What are the key properties of 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1-(1-methylpyrazol-4-yl)piperidin-2-one?
3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1-(1-methylpyrazol-4-yl)piperidin-2-one has a molecular weight of 333.42 g/mol, XLogP of 2.11, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylsulfanyl]-1-(1-methylpyrazol-4-yl)piperidin-2-one is sourced from PubChem (CID 71870474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).