(5-cyclopropyl-1,3-oxazol-4-yl)-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone

C17H22N4O2 — CID 96581034

IUPAC(5-cyclopropyl-1,3-oxazol-4-yl)-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
SMILESO=C(c1ncoc1C1CC1)N1CCCC[C@H]1CCn1cccn1
InChIInChI=1S/C17H22N4O2/c22-17(15-16(13-5-6-13)23-12-18-15)21-10-2-1-4-14(21)7-11-20-9-3-8-19-20/h3,8-9,12-14H,1-2,4-7,10-11H2/t14-/m0/s1
InChIKeyNAIUTIQRNJRGFI-AWEZNQCLSA-N
MW314.39 g/mol
LogP2.83
Rot. Bonds5

About (5-cyclopropyl-1,3-oxazol-4-yl)-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone

(5-cyclopropyl-1,3-oxazol-4-yl)-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone (PubChem CID 96581034) has the molecular formula C17H22N4O2 and a molecular weight of 314.39 g/mol. Its IUPAC name is (5-cyclopropyl-1,3-oxazol-4-yl)-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,3-oxazol-4-yl)-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
PubChem CID96581034
Molecular FormulaC17H22N4O2
Molecular Weight314.39 g/mol
Exact Mass314.17
IUPAC Name(5-cyclopropyl-1,3-oxazol-4-yl)-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
SMILESO=C(c1ncoc1C1CC1)N1CCCC[C@H]1CCn1cccn1
InChIInChI=1S/C17H22N4O2/c22-17(15-16(13-5-6-13)23-12-18-15)21-10-2-1-4-14(21)7-11-20-9-3-8-19-20/h3,8-9,12-14H,1-2,4-7,10-11H2/t14-/m0/s1
InChIKeyNAIUTIQRNJRGFI-AWEZNQCLSA-N
XLogP2.83
TPSA64.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1,3-oxazol-5-yl-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 91796110
(3,5-dimethyl-1,2-oxazol-4-yl)-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 91796245
6-[(2R)-2-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 98370560
[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(2-pyridin-3-ylpyrimidin-5-yl)methanone
CID 97187193
[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]-(3-pyridin-4-yl-1H-pyrazol-5-yl)methanone
CID 97138367
1-[2-[(2S)-1-(5-methyl-1,3-oxazole-4-carbonyl)piperidin-2-yl]ethyl]pyrrolidin-2-one
CID 97041667
[4-(difluoromethoxy)phenyl]-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 70719362
6-methyl-4-[(2R)-2-(2-pyrazol-1-ylethyl)piperidine-1-carbonyl]-1H-pyridin-2-one
CID 99932907
(1-methyl-3-propylpyrazol-5-yl)-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 96579491
[5-(difluoromethyl)-1H-pyrazol-3-yl]-[2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 91773356
[6-(2-hydroxyethylamino)-3-pyridinyl]-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 95208526
(3,5-dimethyl-1H-indol-2-yl)-[(2R)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone
CID 97148859

Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,3-oxazol-4-yl)-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of (5-cyclopropyl-1,3-oxazol-4-yl)-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone (CID 96581034) is (5-cyclopropyl-1,3-oxazol-4-yl)-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (5-cyclopropyl-1,3-oxazol-4-yl)-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for (5-cyclopropyl-1,3-oxazol-4-yl)-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone is O=C(c1ncoc1C1CC1)N1CCCC[C@H]1CCn1cccn1.
What is the InChIKey of (5-cyclopropyl-1,3-oxazol-4-yl)-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
The InChIKey is NAIUTIQRNJRGFI-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H22N4O2/c22-17(15-16(13-5-6-13)23-12-18-15)21-10-2-1-4-14(21)7-11-20-9-3-8-19-20/h3,8-9,12-14H,1-2,4-7,10-11H2/t14-/m0/s1.
What are the key properties of (5-cyclopropyl-1,3-oxazol-4-yl)-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone?
(5-cyclopropyl-1,3-oxazol-4-yl)-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone has a molecular weight of 314.39 g/mol, XLogP of 2.83, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,3-oxazol-4-yl)-[(2S)-2-(2-pyrazol-1-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 96581034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).