2-(3-methyl-1,2-oxazol-5-yl)-1-(3-methylphenyl)-1-[3-(trifluoromethoxy)phenyl]ethanamine

C20H19F3N2O2 — CID 71128000

IUPAC2-(3-methyl-1,2-oxazol-5-yl)-1-(3-methylphenyl)-1-[3-(trifluoromethoxy)phenyl]ethanamine
SMILESCc1cccc(C(N)(Cc2cc(C)no2)c2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C20H19F3N2O2/c1-13-5-3-6-15(9-13)19(24,12-18-10-14(2)25-27-18)16-7-4-8-17(11-16)26-20(21,22)23/h3-11H,12,24H2,1-2H3
InChIKeyABZYIIPJWGJKNX-UHFFFAOYSA-N
MW376.38 g/mol
LogP4.64
Rot. Bonds5

About 2-(3-methyl-1,2-oxazol-5-yl)-1-(3-methylphenyl)-1-[3-(trifluoromethoxy)phenyl]ethanamine

2-(3-methyl-1,2-oxazol-5-yl)-1-(3-methylphenyl)-1-[3-(trifluoromethoxy)phenyl]ethanamine (PubChem CID 71128000) has the molecular formula C20H19F3N2O2 and a molecular weight of 376.38 g/mol. Its IUPAC name is 2-(3-methyl-1,2-oxazol-5-yl)-1-(3-methylphenyl)-1-[3-(trifluoromethoxy)phenyl]ethanamine.

Molecular Properties

Compound Name2-(3-methyl-1,2-oxazol-5-yl)-1-(3-methylphenyl)-1-[3-(trifluoromethoxy)phenyl]ethanamine
PubChem CID71128000
Molecular FormulaC20H19F3N2O2
Molecular Weight376.38 g/mol
Exact Mass376.14
IUPAC Name2-(3-methyl-1,2-oxazol-5-yl)-1-(3-methylphenyl)-1-[3-(trifluoromethoxy)phenyl]ethanamine
SMILESCc1cccc(C(N)(Cc2cc(C)no2)c2cccc(OC(F)(F)F)c2)c1
InChIInChI=1S/C20H19F3N2O2/c1-13-5-3-6-15(9-13)19(24,12-18-10-14(2)25-27-18)16-7-4-8-17(11-16)26-20(21,22)23/h3-11H,12,24H2,1-2H3
InChIKeyABZYIIPJWGJKNX-UHFFFAOYSA-N
XLogP4.64
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.38
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclopentyl-3-[2-(3-methyl-1,2-oxazol-5-yl)-1,1-bis[3-(trifluoromethoxy)phenyl]ethyl]urea
CID 23582339
ethane;1-methyl-3-(trifluoromethoxy)benzene
CID 142064343
3-[2,2-bis[3-(trifluoromethoxy)phenyl]propyl]-5-methyl-1,2-oxazole
CID 87580657
hexane;1-methyl-3-(trifluoromethoxy)benzene
CID 143689144
2-(3-methyl-1,2-oxazol-5-yl)-1,1-diphenylethanol
CID 852788
1-methyl-3-(trifluoromethoxy)benzene;sulfuryl dichloride
CID 161048134
1-cyclopentyl-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-(3-methylphenyl)-1-[3-(trifluoromethoxy)phenyl]ethyl]urea
CID 71128001
4-methyl-2-[[3-(trifluoromethoxy)phenyl]methyl]-1,3-oxazole
CID 123620380
1,1-bis(3-methylphenyl)-3-trimethoxysilylpropan-1-amine
CID 21018722
3-[3-(trifluoromethoxy)phenyl]pentan-3-ol
CID 62917897
1-(4-fluorophenyl)-1-[3-(trifluoromethoxy)phenyl]ethanamine
CID 62916529
3-phenyl-2,2-bis[3-(trifluoromethoxy)phenyl]propan-1-amine
CID 59192639

Frequently Asked Questions

What is the IUPAC name of 2-(3-methyl-1,2-oxazol-5-yl)-1-(3-methylphenyl)-1-[3-(trifluoromethoxy)phenyl]ethanamine?
The IUPAC name of 2-(3-methyl-1,2-oxazol-5-yl)-1-(3-methylphenyl)-1-[3-(trifluoromethoxy)phenyl]ethanamine (CID 71128000) is 2-(3-methyl-1,2-oxazol-5-yl)-1-(3-methylphenyl)-1-[3-(trifluoromethoxy)phenyl]ethanamine.
What is the SMILES notation for 2-(3-methyl-1,2-oxazol-5-yl)-1-(3-methylphenyl)-1-[3-(trifluoromethoxy)phenyl]ethanamine?
The canonical SMILES for 2-(3-methyl-1,2-oxazol-5-yl)-1-(3-methylphenyl)-1-[3-(trifluoromethoxy)phenyl]ethanamine is Cc1cccc(C(N)(Cc2cc(C)no2)c2cccc(OC(F)(F)F)c2)c1.
What is the InChIKey of 2-(3-methyl-1,2-oxazol-5-yl)-1-(3-methylphenyl)-1-[3-(trifluoromethoxy)phenyl]ethanamine?
The InChIKey is ABZYIIPJWGJKNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N2O2/c1-13-5-3-6-15(9-13)19(24,12-18-10-14(2)25-27-18)16-7-4-8-17(11-16)26-20(21,22)23/h3-11H,12,24H2,1-2H3.
What are the key properties of 2-(3-methyl-1,2-oxazol-5-yl)-1-(3-methylphenyl)-1-[3-(trifluoromethoxy)phenyl]ethanamine?
2-(3-methyl-1,2-oxazol-5-yl)-1-(3-methylphenyl)-1-[3-(trifluoromethoxy)phenyl]ethanamine has a molecular weight of 376.38 g/mol, XLogP of 4.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methyl-1,2-oxazol-5-yl)-1-(3-methylphenyl)-1-[3-(trifluoromethoxy)phenyl]ethanamine is sourced from PubChem (CID 71128000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).