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

C23H25FN4O4 — CID 91918561

IUPACN-(2-ethoxyphenyl)-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCCC(c2noc(COc3ccccc3F)n2)C1
InChIInChI=1S/C23H25FN4O4/c1-2-30-20-12-6-4-10-18(20)25-23(29)28-13-7-8-16(14-28)22-26-21(32-27-22)15-31-19-11-5-3-9-17(19)24/h3-6,9-12,16H,2,7-8,13-15H2,1H3,(H,25,29)
InChIKeyIWTGNSDTSMMVIB-UHFFFAOYSA-N
MW440.48 g/mol
LogP4.60
Rot. Bonds7

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

N-(2-ethoxyphenyl)-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide (PubChem CID 91918561) has the molecular formula C23H25FN4O4 and a molecular weight of 440.48 g/mol. Its IUPAC name is N-(2-ethoxyphenyl)-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxyphenyl)-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide
PubChem CID91918561
Molecular FormulaC23H25FN4O4
Molecular Weight440.48 g/mol
Exact Mass440.19
IUPAC NameN-(2-ethoxyphenyl)-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide
SMILESCCOc1ccccc1NC(=O)N1CCCC(c2noc(COc3ccccc3F)n2)C1
InChIInChI=1S/C23H25FN4O4/c1-2-30-20-12-6-4-10-18(20)25-23(29)28-13-7-8-16(14-28)22-26-21(32-27-22)15-31-19-11-5-3-9-17(19)24/h3-6,9-12,16H,2,7-8,13-15H2,1H3,(H,25,29)
InChIKeyIWTGNSDTSMMVIB-UHFFFAOYSA-N
XLogP4.60
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.48
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxyphenyl)-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide?
The IUPAC name of N-(2-ethoxyphenyl)-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide (CID 91918561) is N-(2-ethoxyphenyl)-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2-ethoxyphenyl)-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(2-ethoxyphenyl)-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide is CCOc1ccccc1NC(=O)N1CCCC(c2noc(COc3ccccc3F)n2)C1.
What is the InChIKey of N-(2-ethoxyphenyl)-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide?
The InChIKey is IWTGNSDTSMMVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O4/c1-2-30-20-12-6-4-10-18(20)25-23(29)28-13-7-8-16(14-28)22-26-21(32-27-22)15-31-19-11-5-3-9-17(19)24/h3-6,9-12,16H,2,7-8,13-15H2,1H3,(H,25,29).
What are the key properties of N-(2-ethoxyphenyl)-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide?
N-(2-ethoxyphenyl)-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide has a molecular weight of 440.48 g/mol, XLogP of 4.60, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxyphenyl)-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 91918561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).