3-[2-[(2R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]-1H-imidazol-2-one

C15H23N5O3 — CID 124749324

IUPAC3-[2-[(2R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]-1H-imidazol-2-one
SMILESCOCCc1noc([C@H]2CCCCN2CCn2cc[nH]c2=O)n1
InChIInChI=1S/C15H23N5O3/c1-22-11-5-13-17-14(23-18-13)12-4-2-3-7-19(12)9-10-20-8-6-16-15(20)21/h6,8,12H,2-5,7,9-11H2,1H3,(H,16,21)/t12-/m1/s1
InChIKeyAIZZSVBFMVMCQH-GFCCVEGCSA-N
MW321.38 g/mol
LogP0.98
Rot. Bonds7

About 3-[2-[(2R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]-1H-imidazol-2-one

3-[2-[(2R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]-1H-imidazol-2-one (PubChem CID 124749324) has the molecular formula C15H23N5O3 and a molecular weight of 321.38 g/mol. Its IUPAC name is 3-[2-[(2R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]-1H-imidazol-2-one.

Molecular Properties

Compound Name3-[2-[(2R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]-1H-imidazol-2-one
PubChem CID124749324
Molecular FormulaC15H23N5O3
Molecular Weight321.38 g/mol
Exact Mass321.18
IUPAC Name3-[2-[(2R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]-1H-imidazol-2-one
SMILESCOCCc1noc([C@H]2CCCCN2CCn2cc[nH]c2=O)n1
InChIInChI=1S/C15H23N5O3/c1-22-11-5-13-17-14(23-18-13)12-4-2-3-7-19(12)9-10-20-8-6-16-15(20)21/h6,8,12H,2-5,7,9-11H2,1H3,(H,16,21)/t12-/m1/s1
InChIKeyAIZZSVBFMVMCQH-GFCCVEGCSA-N
XLogP0.98
TPSA89.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-(2-methoxyethyl)-5-[1-(2-methylsulfonylethyl)piperidin-2-yl]-1,2,4-oxadiazole
CID 134711986
3-[2-[(2R)-2-(2-methoxyethyl)piperidin-1-yl]ethyl]-1H-imidazol-2-one
CID 124750793
3-(2-methoxyethyl)-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 70955476
3-ethyl-5-[(2S)-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-1,2,4-oxadiazole
CID 95110628
(2R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 126447176
5-[1-[(1-benzylimidazol-2-yl)methyl]piperidin-2-yl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 134700016
4-[1-[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropan-2-yl]morpholine
CID 77083642
3-[2-[(2S)-2-pyridin-2-ylpiperidin-1-yl]ethyl]-1H-imidazol-2-one
CID 125156413
1-[4-[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidin-1-yl]ethanone
CID 50970693
5-[1-[2-(4-fluorophenoxy)ethyl]piperidin-2-yl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 53191887
3-(2-methoxyethyl)-5-[(2S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 118769492
2-(2,3-dihydro-1H-inden-2-yl)-1-[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 91841472

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(2R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]-1H-imidazol-2-one?
The IUPAC name of 3-[2-[(2R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]-1H-imidazol-2-one (CID 124749324) is 3-[2-[(2R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]-1H-imidazol-2-one.
What is the SMILES notation for 3-[2-[(2R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]-1H-imidazol-2-one?
The canonical SMILES for 3-[2-[(2R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]-1H-imidazol-2-one is COCCc1noc([C@H]2CCCCN2CCn2cc[nH]c2=O)n1.
What is the InChIKey of 3-[2-[(2R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]-1H-imidazol-2-one?
The InChIKey is AIZZSVBFMVMCQH-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H23N5O3/c1-22-11-5-13-17-14(23-18-13)12-4-2-3-7-19(12)9-10-20-8-6-16-15(20)21/h6,8,12H,2-5,7,9-11H2,1H3,(H,16,21)/t12-/m1/s1.
What are the key properties of 3-[2-[(2R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]-1H-imidazol-2-one?
3-[2-[(2R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]-1H-imidazol-2-one has a molecular weight of 321.38 g/mol, XLogP of 0.98, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(2R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]-1H-imidazol-2-one is sourced from PubChem (CID 124749324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).