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

C24H23N5O4 — CID 68687363

IUPAC3-[3-[3-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1H-imidazol-2-one
SMILESO=C(COc1ccccc1)N1CCCCC1c1noc(-c2cccc(-n3cc[nH]c3=O)c2)n1
InChIInChI=1S/C24H23N5O4/c30-21(16-32-19-9-2-1-3-10-19)29-13-5-4-11-20(29)22-26-23(33-27-22)17-7-6-8-18(15-17)28-14-12-25-24(28)31/h1-3,6-10,12,14-15,20H,4-5,11,13,16H2,(H,25,31)
InChIKeySCEBBRFHMUZVCJ-UHFFFAOYSA-N
MW445.48 g/mol
LogP3.35
Rot. Bonds6

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

3-[3-[3-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1H-imidazol-2-one (PubChem CID 68687363) has the molecular formula C24H23N5O4 and a molecular weight of 445.48 g/mol. Its IUPAC name is 3-[3-[3-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[3-[3-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1H-imidazol-2-one
PubChem CID68687363
Molecular FormulaC24H23N5O4
Molecular Weight445.48 g/mol
Exact Mass445.18
IUPAC Name3-[3-[3-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1H-imidazol-2-one
SMILESO=C(COc1ccccc1)N1CCCCC1c1noc(-c2cccc(-n3cc[nH]c3=O)c2)n1
InChIInChI=1S/C24H23N5O4/c30-21(16-32-19-9-2-1-3-10-19)29-13-5-4-11-20(29)22-26-23(33-27-22)17-7-6-8-18(15-17)28-14-12-25-24(28)31/h1-3,6-10,12,14-15,20H,4-5,11,13,16H2,(H,25,31)
InChIKeySCEBBRFHMUZVCJ-UHFFFAOYSA-N
XLogP3.35
TPSA106.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Related Compounds

1-[2-[5-(3H-benzimidazol-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone
CID 68687337
2-[3-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]-1H-pyridin-4-one
CID 68688527
5-[3-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]pyridine-2-carbonitrile
CID 68686393
2-(2-methoxy-4-methylphenoxy)-1-[(2R)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]ethanone
CID 99782210
1-[3-[5-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]piperidin-2-one
CID 68687593
1-[(2S)-2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-phenoxyethanone
CID 7356627
1-[2-oxo-2-[(2R)-2-(5-phenyl-1,2,4-oxadiazol-3-yl)azepan-1-yl]ethyl]imidazolidine-2,4-dione
CID 97345599
N,N-diethyl-3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]benzamide
CID 68688139
N-[3-[5-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 68691121
2-phenoxy-1-[(2R)-2-(2-phenyltetrazol-5-yl)piperidin-1-yl]ethanone
CID 118738119
2-phenoxy-1-[(2R)-2-[3-(2-pyrazol-1-yl-4-pyridinyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 68686836
1-[2-(1,2,4-oxadiazol-5-yl)piperidin-1-yl]-2-phenoxyethanone
CID 141173736

Frequently Asked Questions

What is the IUPAC name of 3-[3-[3-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1H-imidazol-2-one?
The IUPAC name of 3-[3-[3-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1H-imidazol-2-one (CID 68687363) is 3-[3-[3-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[3-[3-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[3-[3-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1H-imidazol-2-one is O=C(COc1ccccc1)N1CCCCC1c1noc(-c2cccc(-n3cc[nH]c3=O)c2)n1.
What is the InChIKey of 3-[3-[3-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1H-imidazol-2-one?
The InChIKey is SCEBBRFHMUZVCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4/c30-21(16-32-19-9-2-1-3-10-19)29-13-5-4-11-20(29)22-26-23(33-27-22)17-7-6-8-18(15-17)28-14-12-25-24(28)31/h1-3,6-10,12,14-15,20H,4-5,11,13,16H2,(H,25,31).
What are the key properties of 3-[3-[3-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1H-imidazol-2-one?
3-[3-[3-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1H-imidazol-2-one has a molecular weight of 445.48 g/mol, XLogP of 3.35, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[3-[1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-5-yl]phenyl]-1H-imidazol-2-one is sourced from PubChem (CID 68687363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).