5-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine

C20H20F3N3O2 — CID 156506688

IUPAC5-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine
SMILESCN(C)CCOc1ccc(-c2cnc(Nc3ccc(C(F)(F)F)cc3)o2)cc1
InChIInChI=1S/C20H20F3N3O2/c1-26(2)11-12-27-17-9-3-14(4-10-17)18-13-24-19(28-18)25-16-7-5-15(6-8-16)20(21,22)23/h3-10,13H,11-12H2,1-2H3,(H,24,25)
InChIKeyQTVDBAAYNXEVSD-UHFFFAOYSA-N
MW391.39 g/mol
LogP5.04
Rot. Bonds7

About 5-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine

5-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine (PubChem CID 156506688) has the molecular formula C20H20F3N3O2 and a molecular weight of 391.39 g/mol. Its IUPAC name is 5-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine
PubChem CID156506688
Molecular FormulaC20H20F3N3O2
Molecular Weight391.39 g/mol
Exact Mass391.15
IUPAC Name5-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine
SMILESCN(C)CCOc1ccc(-c2cnc(Nc3ccc(C(F)(F)F)cc3)o2)cc1
InChIInChI=1S/C20H20F3N3O2/c1-26(2)11-12-27-17-9-3-14(4-10-17)18-13-24-19(28-18)25-16-7-5-15(6-8-16)20(21,22)23/h3-10,13H,11-12H2,1-2H3,(H,24,25)
InChIKeyQTVDBAAYNXEVSD-UHFFFAOYSA-N
XLogP5.04
TPSA50.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.39
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine?
The IUPAC name of 5-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine (CID 156506688) is 5-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine.
What is the SMILES notation for 5-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine?
The canonical SMILES for 5-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine is CN(C)CCOc1ccc(-c2cnc(Nc3ccc(C(F)(F)F)cc3)o2)cc1.
What is the InChIKey of 5-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine?
The InChIKey is QTVDBAAYNXEVSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O2/c1-26(2)11-12-27-17-9-3-14(4-10-17)18-13-24-19(28-18)25-16-7-5-15(6-8-16)20(21,22)23/h3-10,13H,11-12H2,1-2H3,(H,24,25).
What are the key properties of 5-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine?
5-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine has a molecular weight of 391.39 g/mol, XLogP of 5.04, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(dimethylamino)ethoxy]phenyl]-N-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-amine is sourced from PubChem (CID 156506688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).