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

C15H21N5O2 — CID 95734821

IUPAC[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCc1nc([C@H]2CCCN(C(=O)c3cc(C(C)C)[nH]n3)C2)no1
InChIInChI=1S/C15H21N5O2/c1-9(2)12-7-13(18-17-12)15(21)20-6-4-5-11(8-20)14-16-10(3)22-19-14/h7,9,11H,4-6,8H2,1-3H3,(H,17,18)/t11-/m0/s1
InChIKeyNAPIFBPXCJPLGW-NSHDSACASA-N
MW303.37 g/mol
LogP2.24
Rot. Bonds3

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

[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (PubChem CID 95734821) has the molecular formula C15H21N5O2 and a molecular weight of 303.37 g/mol. Its IUPAC name is [(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
PubChem CID95734821
Molecular FormulaC15H21N5O2
Molecular Weight303.37 g/mol
Exact Mass303.17
IUPAC Name[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
SMILESCc1nc([C@H]2CCCN(C(=O)c3cc(C(C)C)[nH]n3)C2)no1
InChIInChI=1S/C15H21N5O2/c1-9(2)12-7-13(18-17-12)15(21)20-6-4-5-11(8-20)14-16-10(3)22-19-14/h7,9,11H,4-6,8H2,1-3H3,(H,17,18)/t11-/m0/s1
InChIKeyNAPIFBPXCJPLGW-NSHDSACASA-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

[(3S)-3-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 95734898
(2,5-dimethyl-1-propan-2-ylpyrrol-3-yl)-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734855
[3-(hydroxymethyl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone
CID 110900803
[3-[(2S)-butan-2-yl]-1,2-oxazol-5-yl]-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95776392
(3,5-dimethyl-1,2-oxazol-4-yl)-[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734524
(5-methyl-1H-pyrazol-3-yl)-[3-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]pyrrolidin-1-yl]methanone
CID 119102453
(2-methylfuran-3-yl)-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734449
(2S)-2-(2,5-dimethylfuran-3-yl)-1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one
CID 95734189
(2R)-2-(azepan-1-yl)-1-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]propan-1-one
CID 95769279
2-hydroxy-1-[3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
CID 110269368
(5-bromofuran-2-yl)-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734556
(4,6-dimethyl-1H-indol-2-yl)-[(3R)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95734831

Frequently Asked Questions

What is the IUPAC name of [(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The IUPAC name of [(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone (CID 95734821) is [(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone.
What is the SMILES notation for [(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The canonical SMILES for [(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is Cc1nc([C@H]2CCCN(C(=O)c3cc(C(C)C)[nH]n3)C2)no1.
What is the InChIKey of [(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
The InChIKey is NAPIFBPXCJPLGW-NSHDSACASA-N. The full InChI is InChI=1S/C15H21N5O2/c1-9(2)12-7-13(18-17-12)15(21)20-6-4-5-11(8-20)14-16-10(3)22-19-14/h7,9,11H,4-6,8H2,1-3H3,(H,17,18)/t11-/m0/s1.
What are the key properties of [(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone?
[(3S)-3-(5-methyl-1,2,4-oxadiazol-3-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 [(3S)-3-(5-methyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(5-propan-2-yl-1H-pyrazol-3-yl)methanone is sourced from PubChem (CID 95734821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).