N-(2-phenoxyphenyl)-4-[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide

C26H22F3N5O3 — CID 24731289

IUPACN-(2-phenoxyphenyl)-4-[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)N1CCC(c2nc(-c3ccc(C(F)(F)F)nc3)no2)CC1
InChIInChI=1S/C26H22F3N5O3/c27-26(28,29)22-11-10-18(16-30-22)23-32-24(37-33-23)17-12-14-34(15-13-17)25(35)31-20-8-4-5-9-21(20)36-19-6-2-1-3-7-19/h1-11,16-17H,12-15H2,(H,31,35)
InChIKeyDTSSPVOEERZBPE-UHFFFAOYSA-N
MW509.49 g/mol
LogP6.35
Rot. Bonds5

About N-(2-phenoxyphenyl)-4-[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide

N-(2-phenoxyphenyl)-4-[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide (PubChem CID 24731289) has the molecular formula C26H22F3N5O3 and a molecular weight of 509.49 g/mol. Its IUPAC name is N-(2-phenoxyphenyl)-4-[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-phenoxyphenyl)-4-[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
PubChem CID24731289
Molecular FormulaC26H22F3N5O3
Molecular Weight509.49 g/mol
Exact Mass509.17
IUPAC NameN-(2-phenoxyphenyl)-4-[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
SMILESO=C(Nc1ccccc1Oc1ccccc1)N1CCC(c2nc(-c3ccc(C(F)(F)F)nc3)no2)CC1
InChIInChI=1S/C26H22F3N5O3/c27-26(28,29)22-11-10-18(16-30-22)23-32-24(37-33-23)17-12-14-34(15-13-17)25(35)31-20-8-4-5-9-21(20)36-19-6-2-1-3-7-19/h1-11,16-17H,12-15H2,(H,31,35)
InChIKeyDTSSPVOEERZBPE-UHFFFAOYSA-N
XLogP6.35
TPSA93.38 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500509.49
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(2-phenoxyphenyl)-4-[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(2-phenoxyphenyl)-4-[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The IUPAC name of N-(2-phenoxyphenyl)-4-[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide (CID 24731289) is N-(2-phenoxyphenyl)-4-[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide.
What is the SMILES notation for N-(2-phenoxyphenyl)-4-[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The canonical SMILES for N-(2-phenoxyphenyl)-4-[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide is O=C(Nc1ccccc1Oc1ccccc1)N1CCC(c2nc(-c3ccc(C(F)(F)F)nc3)no2)CC1.
What is the InChIKey of N-(2-phenoxyphenyl)-4-[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
The InChIKey is DTSSPVOEERZBPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F3N5O3/c27-26(28,29)22-11-10-18(16-30-22)23-32-24(37-33-23)17-12-14-34(15-13-17)25(35)31-20-8-4-5-9-21(20)36-19-6-2-1-3-7-19/h1-11,16-17H,12-15H2,(H,31,35).
What are the key properties of N-(2-phenoxyphenyl)-4-[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide?
N-(2-phenoxyphenyl)-4-[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide has a molecular weight of 509.49 g/mol, XLogP of 6.35, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-phenoxyphenyl)-4-[3-[6-(trifluoromethyl)-3-pyridinyl]-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide is sourced from PubChem (CID 24731289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).