[3-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-5-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone

C25H23F5N4O3 — CID 58002461

IUPAC[3-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-5-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CC(c2cccc(C(F)(F)F)c2)CC(c2nc(-c3cc(F)ccc3F)no2)C1
InChIInChI=1S/C25H23F5N4O3/c26-19-4-5-21(27)20(12-19)22-31-23(37-32-22)17-10-16(15-2-1-3-18(11-15)25(28,29)30)13-34(14-17)24(35)33-6-8-36-9-7-33/h1-5,11-12,16-17H,6-10,13-14H2
InChIKeyUGHCIJFSSZWQQD-UHFFFAOYSA-N
MW522.47 g/mol
LogP5.06
Rot. Bonds3

About [3-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-5-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone

[3-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-5-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone (PubChem CID 58002461) has the molecular formula C25H23F5N4O3 and a molecular weight of 522.47 g/mol. Its IUPAC name is [3-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-5-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-5-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone
PubChem CID58002461
Molecular FormulaC25H23F5N4O3
Molecular Weight522.47 g/mol
Exact Mass522.17
IUPAC Name[3-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-5-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone
SMILESO=C(N1CCOCC1)N1CC(c2cccc(C(F)(F)F)c2)CC(c2nc(-c3cc(F)ccc3F)no2)C1
InChIInChI=1S/C25H23F5N4O3/c26-19-4-5-21(27)20(12-19)22-31-23(37-32-22)17-10-16(15-2-1-3-18(11-15)25(28,29)30)13-34(14-17)24(35)33-6-8-36-9-7-33/h1-5,11-12,16-17H,6-10,13-14H2
InChIKeyUGHCIJFSSZWQQD-UHFFFAOYSA-N
XLogP5.06
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500522.47
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[3-(2,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 58002255
[3-[3-(6-methyl-3-pyridinyl)-1,2,4-oxadiazol-5-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 58002212
morpholin-4-yl-[3-[3-(oxetan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]methanone
CID 58116508
[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-5-(4-ethylphenyl)piperidin-1-yl]-morpholin-4-ylmethanone
CID 58002375
[(3S,5S)-3-(4-ethylphenyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]-morpholin-4-ylmethanone
CID 42629041
[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[3-(trifluoromethyl)phenyl]methanone
CID 4000498
[3-[3-(3-methoxypropyl)-1,2,4-oxadiazol-5-yl]-5-[4-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 58116518
[3-[3-(5-chlorothiophen-2-yl)-1,2,4-oxadiazol-5-yl]-5-[4-(trifluoromethoxy)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 58002685
1-[3-(3,4-dimethylphenyl)-5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carbonyl]piperidine-4-carbonitrile
CID 58002619
2-(4-fluorophenyl)-1-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone
CID 71784104
[3-[4-[difluoro(iodo)methyl]phenyl]-5-[3-(oxetan-3-yloxy)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-morpholin-4-ylmethanone
CID 146983476
1-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone
CID 121095594

Frequently Asked Questions

What is the IUPAC name of [3-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-5-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-5-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone (CID 58002461) is [3-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-5-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-5-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-5-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone is O=C(N1CCOCC1)N1CC(c2cccc(C(F)(F)F)c2)CC(c2nc(-c3cc(F)ccc3F)no2)C1.
What is the InChIKey of [3-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-5-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone?
The InChIKey is UGHCIJFSSZWQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F5N4O3/c26-19-4-5-21(27)20(12-19)22-31-23(37-32-22)17-10-16(15-2-1-3-18(11-15)25(28,29)30)13-34(14-17)24(35)33-6-8-36-9-7-33/h1-5,11-12,16-17H,6-10,13-14H2.
What are the key properties of [3-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-5-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone?
[3-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-5-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone has a molecular weight of 522.47 g/mol, XLogP of 5.06, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[3-(2,5-difluorophenyl)-1,2,4-oxadiazol-5-yl]-5-[3-(trifluoromethyl)phenyl]piperidin-1-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 58002461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).