3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-methyl-N-phenylaniline

C23H17Cl2F3N2O — CID 66726674

IUPAC3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-methyl-N-phenylaniline
SMILESCN(c1ccccc1)c1cccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1
InChIInChI=1S/C23H17Cl2F3N2O/c1-30(19-7-3-2-4-8-19)20-9-5-6-15(10-20)21-14-22(31-29-21,23(26,27)28)16-11-17(24)13-18(25)12-16/h2-13H,14H2,1H3
InChIKeyZWOSIXLBUHTPTF-UHFFFAOYSA-N
MW465.30 g/mol
LogP7.34
Rot. Bonds4

About 3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-methyl-N-phenylaniline

3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-methyl-N-phenylaniline (PubChem CID 66726674) has the molecular formula C23H17Cl2F3N2O and a molecular weight of 465.30 g/mol. Its IUPAC name is 3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-methyl-N-phenylaniline.

Molecular Properties

Compound Name3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-methyl-N-phenylaniline
PubChem CID66726674
Molecular FormulaC23H17Cl2F3N2O
Molecular Weight465.30 g/mol
Exact Mass464.07
IUPAC Name3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-methyl-N-phenylaniline
SMILESCN(c1ccccc1)c1cccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1
InChIInChI=1S/C23H17Cl2F3N2O/c1-30(19-7-3-2-4-8-19)20-9-5-6-15(10-20)21-14-22(31-29-21,23(26,27)28)16-11-17(24)13-18(25)12-16/h2-13H,14H2,1H3
InChIKeyZWOSIXLBUHTPTF-UHFFFAOYSA-N
XLogP7.34
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.30
LogP ≤ 57.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-methyl-N-phenylaniline?
The IUPAC name of 3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-methyl-N-phenylaniline (CID 66726674) is 3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-methyl-N-phenylaniline.
What is the SMILES notation for 3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-methyl-N-phenylaniline?
The canonical SMILES for 3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-methyl-N-phenylaniline is CN(c1ccccc1)c1cccc(C2=NOC(c3cc(Cl)cc(Cl)c3)(C(F)(F)F)C2)c1.
What is the InChIKey of 3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-methyl-N-phenylaniline?
The InChIKey is ZWOSIXLBUHTPTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17Cl2F3N2O/c1-30(19-7-3-2-4-8-19)20-9-5-6-15(10-20)21-14-22(31-29-21,23(26,27)28)16-11-17(24)13-18(25)12-16/h2-13H,14H2,1H3.
What are the key properties of 3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-methyl-N-phenylaniline?
3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-methyl-N-phenylaniline has a molecular weight of 465.30 g/mol, XLogP of 7.34, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3,5-dichlorophenyl)-5-(trifluoromethyl)-4H-1,2-oxazol-3-yl]-N-methyl-N-phenylaniline is sourced from PubChem (CID 66726674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).