1-[(2R)-2-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone

C22H21N5O3 — CID 16738430

IUPAC1-[(2R)-2-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(-c2ccc3nc[nH]c3c2)no1
InChIInChI=1S/C22H21N5O3/c28-20(13-29-16-6-2-1-3-7-16)27-11-5-4-8-19(27)22-25-21(26-30-22)15-9-10-17-18(12-15)24-14-23-17/h1-3,6-7,9-10,12,14,19H,4-5,8,11,13H2,(H,23,24)/t19-/m1/s1
InChIKeyDRGDCRIWFXFGPS-LJQANCHMSA-N
MW403.44 g/mol
LogP3.75
Rot. Bonds5

About 1-[(2R)-2-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone

1-[(2R)-2-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone (PubChem CID 16738430) has the molecular formula C22H21N5O3 and a molecular weight of 403.44 g/mol. Its IUPAC name is 1-[(2R)-2-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[(2R)-2-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
PubChem CID16738430
Molecular FormulaC22H21N5O3
Molecular Weight403.44 g/mol
Exact Mass403.16
IUPAC Name1-[(2R)-2-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
SMILESO=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(-c2ccc3nc[nH]c3c2)no1
InChIInChI=1S/C22H21N5O3/c28-20(13-29-16-6-2-1-3-7-16)27-11-5-4-8-19(27)22-25-21(26-30-22)15-9-10-17-18(12-15)24-14-23-17/h1-3,6-7,9-10,12,14,19H,4-5,8,11,13H2,(H,23,24)/t19-/m1/s1
InChIKeyDRGDCRIWFXFGPS-LJQANCHMSA-N
XLogP3.75
TPSA97.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.44
LogP ≤ 53.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[(2R)-2-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone with MolForge

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Related Compounds

furan-2-yl-[4-[[2-[[6-(3-methyl-1,2,4-oxadiazol-5-yl)-1H-benzimidazol-2-yl]amino]-4-pyridinyl]methyl]piperazin-1-yl]methanone
CID 137479154
N-(3H-benzimidazol-5-ylmethyl)-2-[3-[2-(4-methoxyphenyl)ethylamino]-6-methyl-2-oxopyrazin-1-yl]acetamide
CID 10204006
N-(1H-benzimidazol-2-yl)-2-[4-[1-ethyl-3-(3-methoxypropyl)-2,6-dioxo-7H-purin-8-yl]phenoxy]acetamide
CID 45270544
7-[3-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]-N-hydroxyheptanamide
CID 166630201
6-[3-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]-N-hydroxyhexanamide
CID 166630231
6-[4-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]-N-hydroxyhexanamide
CID 166630425
5-[4-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]-N-hydroxypentanamide
CID 166631693
8-[4-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]-N-hydroxyoctanamide
CID 166632215
7-[4-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]-N-hydroxyheptanamide
CID 166635642
8-[3-[6-(1H-benzimidazol-2-yl)-1H-benzimidazol-2-yl]phenoxy]-N-hydroxyoctanamide
CID 166636207
(E)-3-[1-ethyl-2-[2-[(2-phenoxyacetyl)amino]ethyl]benzimidazol-5-yl]-N-hydroxyprop-2-enamide
CID 11774185
5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydrobenzimidazol-2-one
CID 16738433

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[(2R)-2-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone (CID 16738430) is 1-[(2R)-2-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[(2R)-2-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[(2R)-2-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone is O=C(COc1ccccc1)N1CCCC[C@@H]1c1nc(-c2ccc3nc[nH]c3c2)no1.
What is the InChIKey of 1-[(2R)-2-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone?
The InChIKey is DRGDCRIWFXFGPS-LJQANCHMSA-N. The full InChI is InChI=1S/C22H21N5O3/c28-20(13-29-16-6-2-1-3-7-16)27-11-5-4-8-19(27)22-25-21(26-30-22)15-9-10-17-18(12-15)24-14-23-17/h1-3,6-7,9-10,12,14,19H,4-5,8,11,13H2,(H,23,24)/t19-/m1/s1.
What are the key properties of 1-[(2R)-2-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone?
1-[(2R)-2-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone has a molecular weight of 403.44 g/mol, XLogP of 3.75, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-[3-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 16738430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).