N-(2-methoxyethyl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide

C17H22N4O3 — CID 50828031

IUPACN-(2-methoxyethyl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
SMILESCOCCNC(=O)c1nc(-c2ccc(N3CCCCC3)cc2)no1
InChIInChI=1S/C17H22N4O3/c1-23-12-9-18-16(22)17-19-15(20-24-17)13-5-7-14(8-6-13)21-10-3-2-4-11-21/h5-8H,2-4,9-12H2,1H3,(H,18,22)
InChIKeyKTVKAVZSVYMPBT-UHFFFAOYSA-N
MW330.39 g/mol
LogP2.10
Rot. Bonds6

About N-(2-methoxyethyl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide

N-(2-methoxyethyl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide (PubChem CID 50828031) has the molecular formula C17H22N4O3 and a molecular weight of 330.39 g/mol. Its IUPAC name is N-(2-methoxyethyl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
PubChem CID50828031
Molecular FormulaC17H22N4O3
Molecular Weight330.39 g/mol
Exact Mass330.17
IUPAC NameN-(2-methoxyethyl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
SMILESCOCCNC(=O)c1nc(-c2ccc(N3CCCCC3)cc2)no1
InChIInChI=1S/C17H22N4O3/c1-23-12-9-18-16(22)17-19-15(20-24-17)13-5-7-14(8-6-13)21-10-3-2-4-11-21/h5-8H,2-4,9-12H2,1H3,(H,18,22)
InChIKeyKTVKAVZSVYMPBT-UHFFFAOYSA-N
XLogP2.10
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.39
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-propyl-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 50827969
N-(2-methoxyethyl)-3-(2-piperidin-1-yl-4-pyridinyl)-1,2,4-oxadiazole-5-carboxamide
CID 53175171
3-[4-(azepan-1-yl)phenyl]-N-[(4-methylphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 50827856
N-butan-2-yl-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 50827865
3-[4-(azepan-1-yl)phenyl]-N-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 50828022
3-[4-(azepan-1-yl)phenyl]-N-[(2-chlorophenyl)methyl]-1,2,4-oxadiazole-5-carboxamide
CID 50827764
3-[4-(azepan-1-yl)phenyl]-N-[[(2S)-1-ethylpyrrolidin-2-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 95057371
N-(pyridin-3-ylmethyl)-3-(4-pyrrolidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 50827823
3-[4-(azepan-1-yl)phenyl]-N-[1-(furan-2-yl)propan-2-yl]-1,2,4-oxadiazole-5-carboxamide
CID 50827812
N-[3-(4-methylpiperazin-1-yl)propyl]-3-(4-morpholin-4-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 50827958
N-[[1-[(4-fluorophenyl)methyl]piperidin-4-yl]methyl]-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 50828013
3-(4-fluorophenyl)-N-(2-piperidin-1-ylethyl)-1,2,4-oxadiazole-5-carboxamide
CID 42581866

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-(2-methoxyethyl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide (CID 50828031) is N-(2-methoxyethyl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-(2-methoxyethyl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-(2-methoxyethyl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide is COCCNC(=O)c1nc(-c2ccc(N3CCCCC3)cc2)no1.
What is the InChIKey of N-(2-methoxyethyl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is KTVKAVZSVYMPBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O3/c1-23-12-9-18-16(22)17-19-15(20-24-17)13-5-7-14(8-6-13)21-10-3-2-4-11-21/h5-8H,2-4,9-12H2,1H3,(H,18,22).
What are the key properties of N-(2-methoxyethyl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide?
N-(2-methoxyethyl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 330.39 g/mol, XLogP of 2.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-3-(4-piperidin-1-ylphenyl)-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 50828031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).