N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-1-[3-(trifluoromethyl)phenyl]methanamine

C20H19F3N2O2 — CID 56668875

IUPACN-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
SMILESCCOc1cccc(-c2nc(CNCc3cccc(C(F)(F)F)c3)co2)c1
InChIInChI=1S/C20H19F3N2O2/c1-2-26-18-8-4-6-15(10-18)19-25-17(13-27-19)12-24-11-14-5-3-7-16(9-14)20(21,22)23/h3-10,13,24H,2,11-12H2,1H3
InChIKeyZTQLRZIVLBRUIN-UHFFFAOYSA-N
MW376.38 g/mol
LogP5.05
Rot. Bonds7

About N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-1-[3-(trifluoromethyl)phenyl]methanamine

N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-1-[3-(trifluoromethyl)phenyl]methanamine (PubChem CID 56668875) has the molecular formula C20H19F3N2O2 and a molecular weight of 376.38 g/mol. Its IUPAC name is N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-1-[3-(trifluoromethyl)phenyl]methanamine.

Molecular Properties

Compound NameN-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
PubChem CID56668875
Molecular FormulaC20H19F3N2O2
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC NameN-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-1-[3-(trifluoromethyl)phenyl]methanamine
SMILESCCOc1cccc(-c2nc(CNCc3cccc(C(F)(F)F)c3)co2)c1
InChIInChI=1S/C20H19F3N2O2/c1-2-26-18-8-4-6-15(10-18)19-25-17(13-27-19)12-24-11-14-5-3-7-16(9-14)20(21,22)23/h3-10,13,24H,2,11-12H2,1H3
InChIKeyZTQLRZIVLBRUIN-UHFFFAOYSA-N
XLogP5.05
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500376.38
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-1-[3-(trifluoromethyl)phenyl]methanamine?
The IUPAC name of N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-1-[3-(trifluoromethyl)phenyl]methanamine (CID 56668875) is N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-1-[3-(trifluoromethyl)phenyl]methanamine.
What is the SMILES notation for N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-1-[3-(trifluoromethyl)phenyl]methanamine?
The canonical SMILES for N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-1-[3-(trifluoromethyl)phenyl]methanamine is CCOc1cccc(-c2nc(CNCc3cccc(C(F)(F)F)c3)co2)c1.
What is the InChIKey of N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-1-[3-(trifluoromethyl)phenyl]methanamine?
The InChIKey is ZTQLRZIVLBRUIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O2/c1-2-26-18-8-4-6-15(10-18)19-25-17(13-27-19)12-24-11-14-5-3-7-16(9-14)20(21,22)23/h3-10,13,24H,2,11-12H2,1H3.
What are the key properties of N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-1-[3-(trifluoromethyl)phenyl]methanamine?
N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-1-[3-(trifluoromethyl)phenyl]methanamine has a molecular weight of 376.38 g/mol, XLogP of 5.05, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-ethoxyphenyl)-1,3-oxazol-4-yl]methyl]-1-[3-(trifluoromethyl)phenyl]methanamine is sourced from PubChem (CID 56668875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).