4-[3-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1H-1,2,4-triazol-5-one

C23H22N6O4 — CID 68687476

IUPAC4-[3-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1H-1,2,4-triazol-5-one
SMILESO=C(COc1ccccc1)N1CCCC[C@@H]1c1noc(-c2cccc(-n3cn[nH]c3=O)c2)n1
InChIInChI=1S/C23H22N6O4/c30-20(14-32-18-9-2-1-3-10-18)28-12-5-4-11-19(28)21-25-22(33-27-21)16-7-6-8-17(13-16)29-15-24-26-23(29)31/h1-3,6-10,13,15,19H,4-5,11-12,14H2,(H,26,31)/t19-/m1/s1
InChIKeyLNDHZYGJACNFLI-LJQANCHMSA-N
MW446.47 g/mol
LogP2.74
Rot. Bonds6

About 4-[3-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1H-1,2,4-triazol-5-one

4-[3-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1H-1,2,4-triazol-5-one (PubChem CID 68687476) has the molecular formula C23H22N6O4 and a molecular weight of 446.47 g/mol. Its IUPAC name is 4-[3-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1H-1,2,4-triazol-5-one.

Molecular Properties

Compound Name4-[3-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1H-1,2,4-triazol-5-one
PubChem CID68687476
Molecular FormulaC23H22N6O4
Molecular Weight446.47 g/mol
Exact Mass446.17
IUPAC Name4-[3-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1H-1,2,4-triazol-5-one
SMILESO=C(COc1ccccc1)N1CCCC[C@@H]1c1noc(-c2cccc(-n3cn[nH]c3=O)c2)n1
InChIInChI=1S/C23H22N6O4/c30-20(14-32-18-9-2-1-3-10-18)28-12-5-4-11-19(28)21-25-22(33-27-21)16-7-6-8-17(13-16)29-15-24-26-23(29)31/h1-3,6-10,13,15,19H,4-5,11-12,14H2,(H,26,31)/t19-/m1/s1
InChIKeyLNDHZYGJACNFLI-LJQANCHMSA-N
XLogP2.74
TPSA119.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 4-[3-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1H-1,2,4-triazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(R)-2-(4-{3-[4-(5-Cyclopentylmethyl-[1,2,4]oxadiazol-3-yl)-3-fluoro-phenoxy]-propyl}-piperazin-1-yl)-1-methyl-2-oxo-ethyl]-2-(3-dimethylamino-phenyl)-acetamide
CID 44373930
N-hydroxy-N'-(4-methoxyphenyl)-N'-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]heptanediamide
CID 155531290
5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydrobenzimidazol-2-one
CID 16738433
6-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydroindol-2-one
CID 16738434
1-[3-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]pyrrolidin-2-one
CID 68686277
1-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]pyrrolidin-2-one
CID 68686383
N-[2-fluoro-5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 68686400
6-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]-1,4-dihydroquinoxaline-2,3-dione
CID 68686741
7-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]-3,4-dihydro-1H-quinoxalin-2-one
CID 68686991
N-[3-fluoro-5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 68687181
1-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione
CID 68687230
3-[3-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1H-imidazol-2-one
CID 68687358

Frequently Asked Questions

What is the IUPAC name of 4-[3-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1H-1,2,4-triazol-5-one?
The IUPAC name of 4-[3-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1H-1,2,4-triazol-5-one (CID 68687476) is 4-[3-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1H-1,2,4-triazol-5-one.
What is the SMILES notation for 4-[3-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1H-1,2,4-triazol-5-one?
The canonical SMILES for 4-[3-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1H-1,2,4-triazol-5-one is O=C(COc1ccccc1)N1CCCC[C@@H]1c1noc(-c2cccc(-n3cn[nH]c3=O)c2)n1.
What is the InChIKey of 4-[3-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1H-1,2,4-triazol-5-one?
The InChIKey is LNDHZYGJACNFLI-LJQANCHMSA-N. The full InChI is InChI=1S/C23H22N6O4/c30-20(14-32-18-9-2-1-3-10-18)28-12-5-4-11-19(28)21-25-22(33-27-21)16-7-6-8-17(13-16)29-15-24-26-23(29)31/h1-3,6-10,13,15,19H,4-5,11-12,14H2,(H,26,31)/t19-/m1/s1.
What are the key properties of 4-[3-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1H-1,2,4-triazol-5-one?
4-[3-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1H-1,2,4-triazol-5-one has a molecular weight of 446.47 g/mol, XLogP of 2.74, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1H-1,2,4-triazol-5-one is sourced from PubChem (CID 68687476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).