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

C22H21N5O4 — CID 16738433

IUPAC5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydrobenzimidazol-2-one
SMILESO=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(-c2ccc3[nH]c(=O)[nH]c3c2)no1
InChIInChI=1S/C22H21N5O4/c28-19(13-30-15-6-2-1-3-7-15)27-11-5-4-8-18(27)21-25-20(26-31-21)14-9-10-16-17(12-14)24-22(29)23-16/h1-3,6-7,9-10,12,18H,4-5,8,11,13H2,(H2,23,24,29)/t18-/m1/s1
InChIKeyNCHMTERDWPJFRB-GOSISDBHSA-N
MW419.44 g/mol
LogP3.04
Rot. Bonds5

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

5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydrobenzimidazol-2-one (PubChem CID 16738433) has the molecular formula C22H21N5O4 and a molecular weight of 419.44 g/mol. Its IUPAC name is 5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydrobenzimidazol-2-one
PubChem CID16738433
Molecular FormulaC22H21N5O4
Molecular Weight419.44 g/mol
Exact Mass419.16
IUPAC Name5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydrobenzimidazol-2-one
SMILESO=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(-c2ccc3[nH]c(=O)[nH]c3c2)no1
InChIInChI=1S/C22H21N5O4/c28-19(13-30-15-6-2-1-3-7-15)27-11-5-4-8-18(27)21-25-20(26-31-21)14-9-10-16-17(12-14)24-22(29)23-16/h1-3,6-7,9-10,12,18H,4-5,8,11,13H2,(H2,23,24,29)/t18-/m1/s1
InChIKeyNCHMTERDWPJFRB-GOSISDBHSA-N
XLogP3.04
TPSA117.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.44
LogP ≤ 53.04
H-Bond Donors ≤ 52
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
1-[(2R)-2-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 16738430
5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydroindol-2-one
CID 16738432
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
1-[(2R)-2-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-2-phenoxyethanone
CID 68687054
N-[3-fluoro-5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 68687181

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-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydrobenzimidazol-2-one (CID 16738433) is 5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydrobenzimidazol-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-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydrobenzimidazol-2-one is O=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(-c2ccc3[nH]c(=O)[nH]c3c2)no1.
What is the InChIKey of 5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydrobenzimidazol-2-one?
The InChIKey is NCHMTERDWPJFRB-GOSISDBHSA-N. The full InChI is InChI=1S/C22H21N5O4/c28-19(13-30-15-6-2-1-3-7-15)27-11-5-4-8-18(27)21-25-20(26-31-21)14-9-10-16-17(12-14)24-22(29)23-16/h1-3,6-7,9-10,12,18H,4-5,8,11,13H2,(H2,23,24,29)/t18-/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-dihydrobenzimidazol-2-one?
5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydrobenzimidazol-2-one has a molecular weight of 419.44 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 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-dihydrobenzimidazol-2-one is sourced from PubChem (CID 16738433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).