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

C23H25FN4O3 — CID 91918559

IUPACN-(3,5-dimethylphenyl)-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide
SMILESCc1cc(C)cc(NC(=O)N2CCCC(c3noc(COc4ccccc4F)n3)C2)c1
InChIInChI=1S/C23H25FN4O3/c1-15-10-16(2)12-18(11-15)25-23(29)28-9-5-6-17(13-28)22-26-21(31-27-22)14-30-20-8-4-3-7-19(20)24/h3-4,7-8,10-12,17H,5-6,9,13-14H2,1-2H3,(H,25,29)
InChIKeyZWDLEEMULQGHRK-UHFFFAOYSA-N
MW424.48 g/mol
LogP4.82
Rot. Bonds5

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

N-(3,5-dimethylphenyl)-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide (PubChem CID 91918559) has the molecular formula C23H25FN4O3 and a molecular weight of 424.48 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide
PubChem CID91918559
Molecular FormulaC23H25FN4O3
Molecular Weight424.48 g/mol
Exact Mass424.19
IUPAC NameN-(3,5-dimethylphenyl)-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide
SMILESCc1cc(C)cc(NC(=O)N2CCCC(c3noc(COc4ccccc4F)n3)C2)c1
InChIInChI=1S/C23H25FN4O3/c1-15-10-16(2)12-18(11-15)25-23(29)28-9-5-6-17(13-28)22-26-21(31-27-22)14-30-20-8-4-3-7-19(20)24/h3-4,7-8,10-12,17H,5-6,9,13-14H2,1-2H3,(H,25,29)
InChIKeyZWDLEEMULQGHRK-UHFFFAOYSA-N
XLogP4.82
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.48
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide?
The IUPAC name of N-(3,5-dimethylphenyl)-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide (CID 91918559) is N-(3,5-dimethylphenyl)-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(3,5-dimethylphenyl)-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(3,5-dimethylphenyl)-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide is Cc1cc(C)cc(NC(=O)N2CCCC(c3noc(COc4ccccc4F)n3)C2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide?
The InChIKey is ZWDLEEMULQGHRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN4O3/c1-15-10-16(2)12-18(11-15)25-23(29)28-9-5-6-17(13-28)22-26-21(31-27-22)14-30-20-8-4-3-7-19(20)24/h3-4,7-8,10-12,17H,5-6,9,13-14H2,1-2H3,(H,25,29).
What are the key properties of N-(3,5-dimethylphenyl)-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide?
N-(3,5-dimethylphenyl)-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide has a molecular weight of 424.48 g/mol, XLogP of 4.82, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-3-[5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl]piperidine-1-carboxamide is sourced from PubChem (CID 91918559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).