N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-5-phenyl-1,2,4-oxadiazol-3-amine

C20H19F3N4O2 — CID 133482167

IUPACN-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-5-phenyl-1,2,4-oxadiazol-3-amine
SMILESFC(F)(F)c1cc(N2CCOCC2)ccc1CNc1noc(-c2ccccc2)n1
InChIInChI=1S/C20H19F3N4O2/c21-20(22,23)17-12-16(27-8-10-28-11-9-27)7-6-15(17)13-24-19-25-18(29-26-19)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,24,26)
InChIKeyGLOFVYOZQJEFSI-UHFFFAOYSA-N
MW404.39 g/mol
LogP4.20
Rot. Bonds5

About N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-5-phenyl-1,2,4-oxadiazol-3-amine

N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-5-phenyl-1,2,4-oxadiazol-3-amine (PubChem CID 133482167) has the molecular formula C20H19F3N4O2 and a molecular weight of 404.39 g/mol. Its IUPAC name is N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-5-phenyl-1,2,4-oxadiazol-3-amine.

Molecular Properties

Compound NameN-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-5-phenyl-1,2,4-oxadiazol-3-amine
PubChem CID133482167
Molecular FormulaC20H19F3N4O2
Molecular Weight404.39 g/mol
Exact Mass404.15
IUPAC NameN-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-5-phenyl-1,2,4-oxadiazol-3-amine
SMILESFC(F)(F)c1cc(N2CCOCC2)ccc1CNc1noc(-c2ccccc2)n1
InChIInChI=1S/C20H19F3N4O2/c21-20(22,23)17-12-16(27-8-10-28-11-9-27)7-6-15(17)13-24-19-25-18(29-26-19)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,24,26)
InChIKeyGLOFVYOZQJEFSI-UHFFFAOYSA-N
XLogP4.20
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-5-phenyl-1,2,4-oxadiazol-3-amine with MolForge

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

Launch Full Analysis

Related Compounds

2-cyclopropyl-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]pyrimidin-4-amine
CID 133297396
2-benzyl-1-ethyl-3-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 110954495
2-methyl-1-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-3-(2-phenylethyl)guanidine;hydroiodide
CID 111135770
3-bromo-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-1H-indole-2-carboxamide
CID 55969265
N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-3-(phenylcarbamoylamino)propanamide
CID 55803571
N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]oxane-4-carboxamide
CID 51118166
2-methyl-1-(2-methylpropyl)-3-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]guanidine
CID 111180323
2-(2-cyanophenyl)-N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]benzamide
CID 55803637
2-methyl-1-[(5-methyl-1,3-thiazol-2-yl)methyl]-3-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]guanidine
CID 111524254
N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-1H-indazole-7-carboxamide
CID 138994426
1-tert-butyl-3-ethyl-2-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]guanidine;hydroiodide
CID 110966843
1-ethyl-3-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-2-(thiophen-3-ylmethyl)guanidine
CID 111939379

Frequently Asked Questions

What is the IUPAC name of N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-5-phenyl-1,2,4-oxadiazol-3-amine?
The IUPAC name of N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-5-phenyl-1,2,4-oxadiazol-3-amine (CID 133482167) is N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-5-phenyl-1,2,4-oxadiazol-3-amine.
What is the SMILES notation for N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-5-phenyl-1,2,4-oxadiazol-3-amine?
The canonical SMILES for N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-5-phenyl-1,2,4-oxadiazol-3-amine is FC(F)(F)c1cc(N2CCOCC2)ccc1CNc1noc(-c2ccccc2)n1.
What is the InChIKey of N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-5-phenyl-1,2,4-oxadiazol-3-amine?
The InChIKey is GLOFVYOZQJEFSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O2/c21-20(22,23)17-12-16(27-8-10-28-11-9-27)7-6-15(17)13-24-19-25-18(29-26-19)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,24,26).
What are the key properties of N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-5-phenyl-1,2,4-oxadiazol-3-amine?
N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-5-phenyl-1,2,4-oxadiazol-3-amine has a molecular weight of 404.39 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-morpholin-4-yl-2-(trifluoromethyl)phenyl]methyl]-5-phenyl-1,2,4-oxadiazol-3-amine is sourced from PubChem (CID 133482167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).