[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

C15H21N5O2 — CID 56818844

IUPAC[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCc1noc(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)CC2)n1
InChIInChI=1S/C15H21N5O2/c1-9(2)12-8-13(18-17-12)15(21)20-6-4-11(5-7-20)14-16-10(3)19-22-14/h8-9,11H,4-7H2,1-3H3,(H,17,18)
InChIKeyDULHCBMCEBTHPU-UHFFFAOYSA-N
MW303.37 g/mol
LogP2.24
Rot. Bonds3

About [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone

[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (PubChem CID 56818844) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
PubChem CID56818844
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCc1noc(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)CC2)n1
InChIInChI=1S/C15H21N5O2/c1-9(2)12-8-13(18-17-12)15(21)20-6-4-11(5-7-20)14-16-10(3)19-22-14/h8-9,11H,4-7H2,1-3H3,(H,17,18)
InChIKeyDULHCBMCEBTHPU-UHFFFAOYSA-N
XLogP2.24
TPSA87.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 121279607
US11691968, Example 124
CID 167524585
US20230271952, Example 124
CID 168678794
(5-cyclopropyl-1H-pyrazol-3-yl)-[4-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
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(5-cyclopropyl-1H-pyrazol-3-yl)-[2-(5-ethyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
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[2-(5-methyl-1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
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[3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 72147003
[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 72147031
[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(3-phenyl-1H-pyrazol-5-yl)methanone
CID 72147037
(3-((3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl)piperidin-1-yl)(3-(4-fluorophenyl)-1H-pyrazol-5-yl)methanone
CID 90641424

Frequently Asked Questions

What is the IUPAC name of [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (CID 56818844) is [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is Cc1noc(C2CCN(C(=O)c3cc(C(C)C)[nH]n3)CC2)n1.
What is the InChIKey of [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The InChIKey is DULHCBMCEBTHPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O2/c1-9(2)12-8-13(18-17-12)15(21)20-6-4-11(5-7-20)14-16-10(3)19-22-14/h8-9,11H,4-7H2,1-3H3,(H,17,18).
What are the key properties of [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
[4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone has a molecular weight of 303.37 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 56818844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).