2-phenoxy-1-[(2R)-2-[3-(2-pyrazol-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone

C23H22N6O3 — CID 68686836

IUPAC2-phenoxy-1-[(2R)-2-[3-(2-pyrazol-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
SMILESO=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(-c2ccnc(-n3cccn3)c2)no1
InChIInChI=1S/C23H22N6O3/c30-21(16-31-18-7-2-1-3-8-18)28-13-5-4-9-19(28)23-26-22(27-32-23)17-10-12-24-20(15-17)29-14-6-11-25-29/h1-3,6-8,10-12,14-15,19H,4-5,9,13,16H2/t19-/m1/s1
InChIKeyIVSGXGPGBNCZMH-LJQANCHMSA-N
MW430.47 g/mol
LogP3.45
Rot. Bonds6

About 2-phenoxy-1-[(2R)-2-[3-(2-pyrazol-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone

2-phenoxy-1-[(2R)-2-[3-(2-pyrazol-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone (PubChem CID 68686836) has the molecular formula C23H22N6O3 and a molecular weight of 430.47 g/mol. Its IUPAC name is 2-phenoxy-1-[(2R)-2-[3-(2-pyrazol-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-phenoxy-1-[(2R)-2-[3-(2-pyrazol-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
PubChem CID68686836
Molecular FormulaC23H22N6O3
Molecular Weight430.47 g/mol
Exact Mass430.18
IUPAC Name2-phenoxy-1-[(2R)-2-[3-(2-pyrazol-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
SMILESO=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(-c2ccnc(-n3cccn3)c2)no1
InChIInChI=1S/C23H22N6O3/c30-21(16-31-18-7-2-1-3-8-18)28-13-5-4-9-19(28)23-26-22(27-32-23)17-10-12-24-20(15-17)29-14-6-11-25-29/h1-3,6-8,10-12,14-15,19H,4-5,9,13,16H2/t19-/m1/s1
InChIKeyIVSGXGPGBNCZMH-LJQANCHMSA-N
XLogP3.45
TPSA99.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.47
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

carbamoyl 4-[5-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]pyridine-2-carboxylate
CID 90731168
1-[(2S)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 7356627
N-[3-[5-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 68691121
[4-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-2-pyridinyl] N-ethylcarbamate
CID 69029152
2-phenoxy-1-[2-[3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 68686960
N,N-diethyl-3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzamide
CID 68688139
N-[2-fluoro-5-[5-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 68686403
N-[2-fluoro-5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 68686400
1-[3-[5-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]piperidin-2-one
CID 68687593
1-[2-[3-[4-[(3R)-3-hydroxypyrrolidine-1-carbonyl]phenyl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 68689193
N-ethyl-4-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzamide
CID 68687065
N,N-dimethyl-4-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide
CID 68688156

Frequently Asked Questions

What is the IUPAC name of 2-phenoxy-1-[(2R)-2-[3-(2-pyrazol-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-phenoxy-1-[(2R)-2-[3-(2-pyrazol-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone (CID 68686836) is 2-phenoxy-1-[(2R)-2-[3-(2-pyrazol-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-phenoxy-1-[(2R)-2-[3-(2-pyrazol-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-phenoxy-1-[(2R)-2-[3-(2-pyrazol-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone is O=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(-c2ccnc(-n3cccn3)c2)no1.
What is the InChIKey of 2-phenoxy-1-[(2R)-2-[3-(2-pyrazol-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?
The InChIKey is IVSGXGPGBNCZMH-LJQANCHMSA-N. The full InChI is InChI=1S/C23H22N6O3/c30-21(16-31-18-7-2-1-3-8-18)28-13-5-4-9-19(28)23-26-22(27-32-23)17-10-12-24-20(15-17)29-14-6-11-25-29/h1-3,6-8,10-12,14-15,19H,4-5,9,13,16H2/t19-/m1/s1.
What are the key properties of 2-phenoxy-1-[(2R)-2-[3-(2-pyrazol-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone?
2-phenoxy-1-[(2R)-2-[3-(2-pyrazol-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone has a molecular weight of 430.47 g/mol, XLogP of 3.45, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenoxy-1-[(2R)-2-[3-(2-pyrazol-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 68686836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).