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

C23H22N4O4 — CID 16738432

IUPAC5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-c3noc([C@H]4CCCCN4C(=O)COc4ccccc4)n3)ccc2N1
InChIInChI=1S/C23H22N4O4/c28-20-13-16-12-15(9-10-18(16)24-20)22-25-23(31-26-22)19-8-4-5-11-27(19)21(29)14-30-17-6-2-1-3-7-17/h1-3,6-7,9-10,12,19H,4-5,8,11,13-14H2,(H,24,28)/t19-/m1/s1
InChIKeyKVSXMJXPPGXRSH-LJQANCHMSA-N
MW418.45 g/mol
LogP3.36
Rot. Bonds5

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

5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydroindol-2-one (PubChem CID 16738432) has the molecular formula C23H22N4O4 and a molecular weight of 418.45 g/mol. Its IUPAC name is 5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydroindol-2-one.

Molecular Properties

Compound Name5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydroindol-2-one
PubChem CID16738432
Molecular FormulaC23H22N4O4
Molecular Weight418.45 g/mol
Exact Mass418.16
IUPAC Name5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydroindol-2-one
SMILESO=C1Cc2cc(-c3noc([C@H]4CCCCN4C(=O)COc4ccccc4)n3)ccc2N1
InChIInChI=1S/C23H22N4O4/c28-20-13-16-12-15(9-10-18(16)24-20)22-25-23(31-26-22)19-8-4-5-11-27(19)21(29)14-30-17-6-2-1-3-7-17/h1-3,6-7,9-10,12,19H,4-5,8,11,13-14H2,(H,24,28)/t19-/m1/s1
InChIKeyKVSXMJXPPGXRSH-LJQANCHMSA-N
XLogP3.36
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.45
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(5-Ethyl-1,2,4-oxadiazol-3-YL)-2,3-dihydro-1H-indol-1-YL]-2-phenoxy-1-ethanone
CID 50789582
1-[2-[3-(4-Morpholin-4-ylphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-phenoxyethanone
CID 16736552
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
N-[3-fluoro-5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 68687181
5-[5-[(2R)-4-methyl-1-(2-phenoxyacetyl)piperazin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydroindol-2-one
CID 68687215
1-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione
CID 68687230
6-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-4H-1,4-benzoxazin-3-one
CID 68687271
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 5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydroindol-2-one?
The IUPAC name of 5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydroindol-2-one (CID 16738432) is 5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydroindol-2-one.
What is the SMILES notation for 5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydroindol-2-one?
The canonical SMILES for 5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydroindol-2-one is O=C1Cc2cc(-c3noc([C@H]4CCCCN4C(=O)COc4ccccc4)n3)ccc2N1.
What is the InChIKey of 5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydroindol-2-one?
The InChIKey is KVSXMJXPPGXRSH-LJQANCHMSA-N. The full InChI is InChI=1S/C23H22N4O4/c28-20-13-16-12-15(9-10-18(16)24-20)22-25-23(31-26-22)19-8-4-5-11-27(19)21(29)14-30-17-6-2-1-3-7-17/h1-3,6-7,9-10,12,19H,4-5,8,11,13-14H2,(H,24,28)/t19-/m1/s1.
What are the key properties of 5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydroindol-2-one?
5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydroindol-2-one has a molecular weight of 418.45 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydroindol-2-one is sourced from PubChem (CID 16738432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).