1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone

C17H25N5O2 — CID 95774772

IUPAC1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone
SMILESCCc1nc([C@@H]2CCCN(C(=O)Cc3ccn(C(C)C)n3)C2)no1
InChIInChI=1S/C17H25N5O2/c1-4-15-18-17(20-24-15)13-6-5-8-21(11-13)16(23)10-14-7-9-22(19-14)12(2)3/h7,9,12-13H,4-6,8,10-11H2,1-3H3/t13-/m1/s1
InChIKeyXUGMYFAEZCQRAE-CYBMUJFWSA-N
MW331.42 g/mol
LogP2.36
Rot. Bonds5

About 1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone

1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone (PubChem CID 95774772) has the molecular formula C17H25N5O2 and a molecular weight of 331.42 g/mol. Its IUPAC name is 1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone.

Molecular Properties

Compound Name1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone
PubChem CID95774772
Molecular FormulaC17H25N5O2
Molecular Weight331.42 g/mol
Exact Mass331.20
IUPAC Name1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone
SMILESCCc1nc([C@@H]2CCCN(C(=O)Cc3ccn(C(C)C)n3)C2)no1
InChIInChI=1S/C17H25N5O2/c1-4-15-18-17(20-24-15)13-6-5-8-21(11-13)16(23)10-14-7-9-22(19-14)12(2)3/h7,9,12-13H,4-6,8,10-11H2,1-3H3/t13-/m1/s1
InChIKeyXUGMYFAEZCQRAE-CYBMUJFWSA-N
XLogP2.36
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.42
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(3S)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone
CID 95774773
2-(1-propan-2-ylpyrazol-3-yl)-1-[(3R)-3-(1H-pyrazol-5-yl)piperidin-1-yl]ethanone
CID 95780445
(3R)-N-ethyl-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidine-1-carboxamide
CID 95320062
(Z)-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-5-phenylpent-4-en-1-one
CID 97359349
2-[(1S)-cyclopent-2-en-1-yl]-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]ethanone
CID 95221941
[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 95221983
[(3S)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(4-methoxyphenyl)methanone
CID 95221984
(5-ethylfuran-2-yl)-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]methanone
CID 95221622
5-[(3R)-1-[2-(1-propan-2-ylpyrazol-3-yl)acetyl]piperidin-3-yl]-1H-pyrazole-3-carboxamide
CID 96514321
[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(2-propan-2-yl-1H-imidazol-5-yl)methanone
CID 95772529
[(3S)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-(5-methylpyrazolo[1,5-a]pyrimidin-3-yl)methanone
CID 95243344
(2R)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-methylpropan-1-one
CID 95774244

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
The IUPAC name of 1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone (CID 95774772) is 1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone.
What is the SMILES notation for 1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
The canonical SMILES for 1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone is CCc1nc([C@@H]2CCCN(C(=O)Cc3ccn(C(C)C)n3)C2)no1.
What is the InChIKey of 1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
The InChIKey is XUGMYFAEZCQRAE-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H25N5O2/c1-4-15-18-17(20-24-15)13-6-5-8-21(11-13)16(23)10-14-7-9-22(19-14)12(2)3/h7,9,12-13H,4-6,8,10-11H2,1-3H3/t13-/m1/s1.
What are the key properties of 1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone?
1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone has a molecular weight of 331.42 g/mol, XLogP of 2.36, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-3-(5-ethyl-1,2,4-oxadiazol-3-yl)piperidin-1-yl]-2-(1-propan-2-ylpyrazol-3-yl)ethanone is sourced from PubChem (CID 95774772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).