4-(5-phenyl-1,2,4-oxadiazol-3-yl)-2-[3-(trifluoromethyl)phenyl]morpholine

C19H16F3N3O2 — CID 133483815

IUPAC4-(5-phenyl-1,2,4-oxadiazol-3-yl)-2-[3-(trifluoromethyl)phenyl]morpholine
SMILESFC(F)(F)c1cccc(C2CN(c3noc(-c4ccccc4)n3)CCO2)c1
InChIInChI=1S/C19H16F3N3O2/c20-19(21,22)15-8-4-7-14(11-15)16-12-25(9-10-26-16)18-23-17(27-24-18)13-5-2-1-3-6-13/h1-8,11,16H,9-10,12H2
InChIKeyRKJSCEALFGBCCO-UHFFFAOYSA-N
MW375.35 g/mol
LogP4.33
Rot. Bonds3

About 4-(5-phenyl-1,2,4-oxadiazol-3-yl)-2-[3-(trifluoromethyl)phenyl]morpholine

4-(5-phenyl-1,2,4-oxadiazol-3-yl)-2-[3-(trifluoromethyl)phenyl]morpholine (PubChem CID 133483815) has the molecular formula C19H16F3N3O2 and a molecular weight of 375.35 g/mol. Its IUPAC name is 4-(5-phenyl-1,2,4-oxadiazol-3-yl)-2-[3-(trifluoromethyl)phenyl]morpholine.

Molecular Properties

Compound Name4-(5-phenyl-1,2,4-oxadiazol-3-yl)-2-[3-(trifluoromethyl)phenyl]morpholine
PubChem CID133483815
Molecular FormulaC19H16F3N3O2
Molecular Weight375.35 g/mol
Exact Mass375.12
IUPAC Name4-(5-phenyl-1,2,4-oxadiazol-3-yl)-2-[3-(trifluoromethyl)phenyl]morpholine
SMILESFC(F)(F)c1cccc(C2CN(c3noc(-c4ccccc4)n3)CCO2)c1
InChIInChI=1S/C19H16F3N3O2/c20-19(21,22)15-8-4-7-14(11-15)16-12-25(9-10-26-16)18-23-17(27-24-18)13-5-2-1-3-6-13/h1-8,11,16H,9-10,12H2
InChIKeyRKJSCEALFGBCCO-UHFFFAOYSA-N
XLogP4.33
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.35
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[3-[[2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 120752296
(3S)-1-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrrolidin-3-amine
CID 59028714
4-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)-2-[3-(trifluoromethyl)phenyl]morpholine
CID 133492401
(2S)-2-[(2S)-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid
CID 124692216
3-[(2S)-2-[3-(trifluoromethyl)phenyl]morpholin-4-yl]propanoic acid
CID 124704543
(2R)-4-[2,6-dinitro-4-(trifluoromethyl)phenyl]-2-phenylmorpholine
CID 97015229
3-phenyl-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 19324593
(2R)-4-[5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]morpholine-2-carboxamide
CID 95873563
2-[5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]morpholine
CID 103971977
1-[5-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]-2-pyridinyl]azetidin-3-ol
CID 70740569
5-phenyl-3-(3-pyrrolidin-1-ylazepan-1-yl)-1,2,4-oxadiazole
CID 133483076
4-(5-methylpyrimidin-2-yl)-2-[4-(trifluoromethyl)phenyl]morpholine
CID 133449879

Frequently Asked Questions

What is the IUPAC name of 4-(5-phenyl-1,2,4-oxadiazol-3-yl)-2-[3-(trifluoromethyl)phenyl]morpholine?
The IUPAC name of 4-(5-phenyl-1,2,4-oxadiazol-3-yl)-2-[3-(trifluoromethyl)phenyl]morpholine (CID 133483815) is 4-(5-phenyl-1,2,4-oxadiazol-3-yl)-2-[3-(trifluoromethyl)phenyl]morpholine.
What is the SMILES notation for 4-(5-phenyl-1,2,4-oxadiazol-3-yl)-2-[3-(trifluoromethyl)phenyl]morpholine?
The canonical SMILES for 4-(5-phenyl-1,2,4-oxadiazol-3-yl)-2-[3-(trifluoromethyl)phenyl]morpholine is FC(F)(F)c1cccc(C2CN(c3noc(-c4ccccc4)n3)CCO2)c1.
What is the InChIKey of 4-(5-phenyl-1,2,4-oxadiazol-3-yl)-2-[3-(trifluoromethyl)phenyl]morpholine?
The InChIKey is RKJSCEALFGBCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N3O2/c20-19(21,22)15-8-4-7-14(11-15)16-12-25(9-10-26-16)18-23-17(27-24-18)13-5-2-1-3-6-13/h1-8,11,16H,9-10,12H2.
What are the key properties of 4-(5-phenyl-1,2,4-oxadiazol-3-yl)-2-[3-(trifluoromethyl)phenyl]morpholine?
4-(5-phenyl-1,2,4-oxadiazol-3-yl)-2-[3-(trifluoromethyl)phenyl]morpholine has a molecular weight of 375.35 g/mol, XLogP of 4.33, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-phenyl-1,2,4-oxadiazol-3-yl)-2-[3-(trifluoromethyl)phenyl]morpholine is sourced from PubChem (CID 133483815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).