3-cyclopropyl-5-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole

C15H21N5O — CID 71927055

IUPAC3-cyclopropyl-5-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1cc(C2CCCN(Cc3nc(C4CC4)no3)C2)n[nH]1
InChIInChI=1S/C15H21N5O/c1-10-7-13(18-17-10)12-3-2-6-20(8-12)9-14-16-15(19-21-14)11-4-5-11/h7,11-12H,2-6,8-9H2,1H3,(H,17,18)
InChIKeySAXYBGBFMQLSIU-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.36
Rot. Bonds4

About 3-cyclopropyl-5-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole

3-cyclopropyl-5-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 71927055) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 3-cyclopropyl-5-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID71927055
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name3-cyclopropyl-5-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
SMILESCc1cc(C2CCCN(Cc3nc(C4CC4)no3)C2)n[nH]1
InChIInChI=1S/C15H21N5O/c1-10-7-13(18-17-10)12-3-2-6-20(8-12)9-14-16-15(19-21-14)11-4-5-11/h7,11-12H,2-6,8-9H2,1H3,(H,17,18)
InChIKeySAXYBGBFMQLSIU-UHFFFAOYSA-N
XLogP2.36
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole (CID 71927055) is 3-cyclopropyl-5-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole is Cc1cc(C2CCCN(Cc3nc(C4CC4)no3)C2)n[nH]1.
What is the InChIKey of 3-cyclopropyl-5-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is SAXYBGBFMQLSIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-10-7-13(18-17-10)12-3-2-6-20(8-12)9-14-16-15(19-21-14)11-4-5-11/h7,11-12H,2-6,8-9H2,1H3,(H,17,18).
What are the key properties of 3-cyclopropyl-5-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 287.37 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[[3-(5-methyl-1H-pyrazol-3-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 71927055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).