2-[3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)piperidine-1-carboxamide

C20H27FN4O3 — CID 91920794

IUPAC2-[3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)piperidine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCCCC1c1nc(CCOc2ccc(F)cc2)no1
InChIInChI=1S/C20H27FN4O3/c1-14(2)13-22-20(26)25-11-4-3-5-17(25)19-23-18(24-28-19)10-12-27-16-8-6-15(21)7-9-16/h6-9,14,17H,3-5,10-13H2,1-2H3,(H,22,26)
InChIKeyKOUSMFQHNJKJON-UHFFFAOYSA-N
MW390.46 g/mol
LogP3.72
Rot. Bonds7

About 2-[3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)piperidine-1-carboxamide

2-[3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)piperidine-1-carboxamide (PubChem CID 91920794) has the molecular formula C20H27FN4O3 and a molecular weight of 390.46 g/mol. Its IUPAC name is 2-[3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name2-[3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)piperidine-1-carboxamide
PubChem CID91920794
Molecular FormulaC20H27FN4O3
Molecular Weight390.46 g/mol
Exact Mass390.21
IUPAC Name2-[3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)piperidine-1-carboxamide
SMILESCC(C)CNC(=O)N1CCCCC1c1nc(CCOc2ccc(F)cc2)no1
InChIInChI=1S/C20H27FN4O3/c1-14(2)13-22-20(26)25-11-4-3-5-17(25)19-23-18(24-28-19)10-12-27-16-8-6-15(21)7-9-16/h6-9,14,17H,3-5,10-13H2,1-2H3,(H,22,26)
InChIKeyKOUSMFQHNJKJON-UHFFFAOYSA-N
XLogP3.72
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.46
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 95058074
2-(4-fluorophenyl)-N-(2-methylpropyl)pyrrolidine-1-carboxamide
CID 47238327
(2R)-N-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]-2-(4-fluorophenyl)piperidine-1-carboxamide
CID 125447060
5-[1-[2-(4-fluorophenoxy)ethyl]piperidin-2-yl]-3-(methoxymethyl)-1,2,4-oxadiazole
CID 53191887
N-benzyl-3-[3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 91925427
2-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-[(4-fluorophenyl)methyl]piperidine-1-carboxamide
CID 53338102
(2S)-N-butyl-2-(3-butyl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 51984767
N-[(4-fluorophenyl)methyl]-2-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)piperidine-1-carboxamide
CID 53338110
(2R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-(2-pyrazol-1-ylethyl)piperidine-1-carboxamide
CID 126447176
N-ethyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)azepane-1-carboxamide
CID 110196408
2-[5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]-N-propan-2-ylpyrrolidine-1-carboxamide
CID 91920649
N-(2,3-dihydro-1H-inden-5-yl)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 72843680

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)piperidine-1-carboxamide?
The IUPAC name of 2-[3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)piperidine-1-carboxamide (CID 91920794) is 2-[3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)piperidine-1-carboxamide.
What is the SMILES notation for 2-[3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)piperidine-1-carboxamide?
The canonical SMILES for 2-[3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)piperidine-1-carboxamide is CC(C)CNC(=O)N1CCCCC1c1nc(CCOc2ccc(F)cc2)no1.
What is the InChIKey of 2-[3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)piperidine-1-carboxamide?
The InChIKey is KOUSMFQHNJKJON-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27FN4O3/c1-14(2)13-22-20(26)25-11-4-3-5-17(25)19-23-18(24-28-19)10-12-27-16-8-6-15(21)7-9-16/h6-9,14,17H,3-5,10-13H2,1-2H3,(H,22,26).
What are the key properties of 2-[3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)piperidine-1-carboxamide?
2-[3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)piperidine-1-carboxamide has a molecular weight of 390.46 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-(4-fluorophenoxy)ethyl]-1,2,4-oxadiazol-5-yl]-N-(2-methylpropyl)piperidine-1-carboxamide is sourced from PubChem (CID 91920794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).