1-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione

C24H23N5O5 — CID 68687230

IUPAC1-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione
SMILESO=C1CN(c2cccc(-c3noc([C@H]4CCCCN4C(=O)COc4ccccc4)n3)c2)C(=O)N1
InChIInChI=1S/C24H23N5O5/c30-20-14-29(24(32)25-20)17-8-6-7-16(13-17)22-26-23(34-27-22)19-11-4-5-12-28(19)21(31)15-33-18-9-2-1-3-10-18/h1-3,6-10,13,19H,4-5,11-12,14-15H2,(H,25,30,32)/t19-/m1/s1
InChIKeyGWFQKKRJZXYXFE-LJQANCHMSA-N
MW461.48 g/mol
LogP2.93
Rot. Bonds6

About 1-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione

1-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione (PubChem CID 68687230) has the molecular formula C24H23N5O5 and a molecular weight of 461.48 g/mol. Its IUPAC name is 1-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name1-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione
PubChem CID68687230
Molecular FormulaC24H23N5O5
Molecular Weight461.48 g/mol
Exact Mass461.17
IUPAC Name1-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione
SMILESO=C1CN(c2cccc(-c3noc([C@H]4CCCCN4C(=O)COc4ccccc4)n3)c2)C(=O)N1
InChIInChI=1S/C24H23N5O5/c30-20-14-29(24(32)25-20)17-8-6-7-16(13-17)22-26-23(34-27-22)19-11-4-5-12-28(19)21(31)15-33-18-9-2-1-3-10-18/h1-3,6-10,13,19H,4-5,11-12,14-15H2,(H,25,30,32)/t19-/m1/s1
InChIKeyGWFQKKRJZXYXFE-LJQANCHMSA-N
XLogP2.93
TPSA117.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.48
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(R)-1-{2-[3-(4-Methoxy-phenyl)-[1,2,4]oxadiazol-5-yl]-piperidin-1-yl}-2-phenoxy-ethanone
CID 16736346
3-(2-oxo-5-((3-phenyl-1,2,4-oxadiazol-5-yl)methyl)benzo[d]oxazol-3(2H)-yl)piperidine-2,6-dione
CID 177920964
N-(2-methoxy-5-methylphenyl)-4-[2-methyl-5-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]piperazine-1-carboxamide
CID 16031500
N-(2-ethoxyphenyl)-1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-4-carboxamide
CID 24793707
N-[1-[3-[4-(2-phenoxazin-10-ylethoxy)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 137659583
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
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-ethyl-3-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1H-1,2,4-triazol-3-yl]phenyl]urea
CID 68685811
1-[3-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]pyrrolidin-2-one
CID 68686277

Frequently Asked Questions

What is the IUPAC name of 1-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione?
The IUPAC name of 1-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione (CID 68687230) is 1-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione.
What is the SMILES notation for 1-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione?
The canonical SMILES for 1-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione is O=C1CN(c2cccc(-c3noc([C@H]4CCCCN4C(=O)COc4ccccc4)n3)c2)C(=O)N1.
What is the InChIKey of 1-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione?
The InChIKey is GWFQKKRJZXYXFE-LJQANCHMSA-N. The full InChI is InChI=1S/C24H23N5O5/c30-20-14-29(24(32)25-20)17-8-6-7-16(13-17)22-26-23(34-27-22)19-11-4-5-12-28(19)21(31)15-33-18-9-2-1-3-10-18/h1-3,6-10,13,19H,4-5,11-12,14-15H2,(H,25,30,32)/t19-/m1/s1.
What are the key properties of 1-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione?
1-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione has a molecular weight of 461.48 g/mol, XLogP of 2.93, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]imidazolidine-2,4-dione is sourced from PubChem (CID 68687230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).