methyl 4-[[5-(2-piperidin-1-ylethylcarbamoyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate

C19H24N4O5 — CID 29132043

IUPACmethyl 4-[[5-(2-piperidin-1-ylethylcarbamoyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate
SMILESCOC(=O)c1ccc(OCc2noc(C(=O)NCCN3CCCCC3)n2)cc1
InChIInChI=1S/C19H24N4O5/c1-26-19(25)14-5-7-15(8-6-14)27-13-16-21-18(28-22-16)17(24)20-9-12-23-10-3-2-4-11-23/h5-8H,2-4,9-13H2,1H3,(H,20,24)
InChIKeyOUCJPYXQMDRHIH-UHFFFAOYSA-N
MW388.42 g/mol
LogP1.65
Rot. Bonds8

About methyl 4-[[5-(2-piperidin-1-ylethylcarbamoyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate

methyl 4-[[5-(2-piperidin-1-ylethylcarbamoyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate (PubChem CID 29132043) has the molecular formula C19H24N4O5 and a molecular weight of 388.42 g/mol. Its IUPAC name is methyl 4-[[5-(2-piperidin-1-ylethylcarbamoyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate.

Molecular Properties

Compound Namemethyl 4-[[5-(2-piperidin-1-ylethylcarbamoyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate
PubChem CID29132043
Molecular FormulaC19H24N4O5
Molecular Weight388.42 g/mol
Exact Mass388.17
IUPAC Namemethyl 4-[[5-(2-piperidin-1-ylethylcarbamoyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate
SMILESCOC(=O)c1ccc(OCc2noc(C(=O)NCCN3CCCCC3)n2)cc1
InChIInChI=1S/C19H24N4O5/c1-26-19(25)14-5-7-15(8-6-14)27-13-16-21-18(28-22-16)17(24)20-9-12-23-10-3-2-4-11-23/h5-8H,2-4,9-13H2,1H3,(H,20,24)
InChIKeyOUCJPYXQMDRHIH-UHFFFAOYSA-N
XLogP1.65
TPSA106.79 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.42
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze methyl 4-[[5-(2-piperidin-1-ylethylcarbamoyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate with MolForge

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Related Compounds

3-[2-(4-methoxyphenyl)sulfonylethyl]-N-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide
CID 53133965
methyl 4-[[5-[(3S,5R)-3,5-dimethylpiperidine-1-carbonyl]-1,2,4-oxadiazol-3-yl]methoxy]benzoate
CID 39351393
4-[(5-ethyl-1,2,4-oxadiazol-3-yl)methoxy]-N-(2-piperazin-1-ylethyl)benzamide
CID 119446462
3-(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide
CID 42581866
4-ethoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 25237098
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-piperidin-1-ylethyl)benzamide
CID 55723522
3-[2-(4-methylphenyl)sulfonylethyl]-N-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide
CID 53133810
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(3-piperidin-1-ylpropyl)benzamide
CID 31093025
3-[2-(4-fluorophenyl)sulfonylethyl]-N-(2-pyrrolidin-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide
CID 53133906
N-[2-(azepan-1-yl)ethyl]-3-[4-(dimethylsulfamoyl)phenyl]-1,2,4-oxadiazole-5-carboxamide
CID 53205331
3-(1,3-benzodioxol-5-yloxymethyl)-N-(2-methoxyethyl)-1,2,4-oxadiazole-5-carboxamide
CID 29128059
3-[2-(4-methoxyphenyl)sulfonylethyl]-N-[2-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole-5-carboxamide
CID 53133966

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-(2-piperidin-1-ylethylcarbamoyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate?
The IUPAC name of methyl 4-[[5-(2-piperidin-1-ylethylcarbamoyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate (CID 29132043) is methyl 4-[[5-(2-piperidin-1-ylethylcarbamoyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate.
What is the SMILES notation for methyl 4-[[5-(2-piperidin-1-ylethylcarbamoyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate?
The canonical SMILES for methyl 4-[[5-(2-piperidin-1-ylethylcarbamoyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate is COC(=O)c1ccc(OCc2noc(C(=O)NCCN3CCCCC3)n2)cc1.
What is the InChIKey of methyl 4-[[5-(2-piperidin-1-ylethylcarbamoyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate?
The InChIKey is OUCJPYXQMDRHIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O5/c1-26-19(25)14-5-7-15(8-6-14)27-13-16-21-18(28-22-16)17(24)20-9-12-23-10-3-2-4-11-23/h5-8H,2-4,9-13H2,1H3,(H,20,24).
What are the key properties of methyl 4-[[5-(2-piperidin-1-ylethylcarbamoyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate?
methyl 4-[[5-(2-piperidin-1-ylethylcarbamoyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate has a molecular weight of 388.42 g/mol, XLogP of 1.65, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-(2-piperidin-1-ylethylcarbamoyl)-1,2,4-oxadiazol-3-yl]methoxy]benzoate is sourced from PubChem (CID 29132043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).