[3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)-4-(trifluoromethyl)phenyl]methanone

C23H19F3N6O3 — CID 78114425

IUPAC[3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)-4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1-n1nccn1)N1CCOCC1Cc1cccc(-c2ncon2)c1
InChIInChI=1S/C23H19F3N6O3/c24-23(25,26)17-4-5-19(20(12-17)32-28-6-7-29-32)22(33)31-8-9-34-13-18(31)11-15-2-1-3-16(10-15)21-27-14-35-30-21/h1-7,10,12,14,18H,8-9,11,13H2
InChIKeyCXGGFUAERWUYLI-UHFFFAOYSA-N
MW484.44 g/mol
LogP3.42
Rot. Bonds5

About [3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)-4-(trifluoromethyl)phenyl]methanone

[3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)-4-(trifluoromethyl)phenyl]methanone (PubChem CID 78114425) has the molecular formula C23H19F3N6O3 and a molecular weight of 484.44 g/mol. Its IUPAC name is [3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)-4-(trifluoromethyl)phenyl]methanone.

Molecular Properties

Compound Name[3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)-4-(trifluoromethyl)phenyl]methanone
PubChem CID78114425
Molecular FormulaC23H19F3N6O3
Molecular Weight484.44 g/mol
Exact Mass484.15
IUPAC Name[3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)-4-(trifluoromethyl)phenyl]methanone
SMILESO=C(c1ccc(C(F)(F)F)cc1-n1nccn1)N1CCOCC1Cc1cccc(-c2ncon2)c1
InChIInChI=1S/C23H19F3N6O3/c24-23(25,26)17-4-5-19(20(12-17)32-28-6-7-29-32)22(33)31-8-9-34-13-18(31)11-15-2-1-3-16(10-15)21-27-14-35-30-21/h1-7,10,12,14,18H,8-9,11,13H2
InChIKeyCXGGFUAERWUYLI-UHFFFAOYSA-N
XLogP3.42
TPSA99.17 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.44
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

[(3R)-3-[(3-thiophen-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 71566268
[3-[(3-thiophen-2-ylphenyl)methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 78114294
2-(3,4-difluorophenyl)triazole;(3R)-3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholine-4-carbaldehyde
CID 159027541
[5-fluoro-2-(triazol-2-yl)phenyl]-[(3R)-3-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone
CID 71566197
[4-methyl-2-(triazol-2-yl)phenyl]-[(3R)-3-[[4-methyl-3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone
CID 71565731
[(3R)-3-[[4-methoxy-3-(1,3-oxazol-2-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)phenyl]methanone
CID 71565956
[4-methyl-2-(triazol-2-yl)phenyl]-[(2R,5R)-2-methyl-5-[[3-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]methanone
CID 71565520
tert-butyl 3-[(3-pyridin-3-ylphenyl)methyl]morpholine-4-carboxylate
CID 118116680
[(3R)-3-[[2-chloro-5-(triazol-2-yl)phenyl]methyl]morpholin-4-yl]-[3-methyl-2-(triazol-2-yl)phenyl]methanone
CID 118117277
1-[3-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]morpholin-4-yl]ethanone
CID 167893080
[2-(triazol-2-yl)-4-(trifluoromethyl)phenyl]-[2-[3-[2-(trifluoromethoxy)phenyl]-1H-1,2,4-triazol-5-yl]azetidin-1-yl]methanone
CID 118677192
1-[3-(1,2,4-oxadiazol-3-yl)morpholin-4-yl]-2-[3-(2,2,2-trifluoroethoxy)phenyl]ethanone
CID 136521396

Frequently Asked Questions

What is the IUPAC name of [3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)-4-(trifluoromethyl)phenyl]methanone?
The IUPAC name of [3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)-4-(trifluoromethyl)phenyl]methanone (CID 78114425) is [3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)-4-(trifluoromethyl)phenyl]methanone.
What is the SMILES notation for [3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)-4-(trifluoromethyl)phenyl]methanone?
The canonical SMILES for [3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)-4-(trifluoromethyl)phenyl]methanone is O=C(c1ccc(C(F)(F)F)cc1-n1nccn1)N1CCOCC1Cc1cccc(-c2ncon2)c1.
What is the InChIKey of [3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)-4-(trifluoromethyl)phenyl]methanone?
The InChIKey is CXGGFUAERWUYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19F3N6O3/c24-23(25,26)17-4-5-19(20(12-17)32-28-6-7-29-32)22(33)31-8-9-34-13-18(31)11-15-2-1-3-16(10-15)21-27-14-35-30-21/h1-7,10,12,14,18H,8-9,11,13H2.
What are the key properties of [3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)-4-(trifluoromethyl)phenyl]methanone?
[3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)-4-(trifluoromethyl)phenyl]methanone has a molecular weight of 484.44 g/mol, XLogP of 3.42, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[[3-(1,2,4-oxadiazol-3-yl)phenyl]methyl]morpholin-4-yl]-[2-(triazol-2-yl)-4-(trifluoromethyl)phenyl]methanone is sourced from PubChem (CID 78114425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).