N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine

C16H19F3N2O — CID 75428017

IUPACN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
SMILESCc1noc(C)c1CCNC(C)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H19F3N2O/c1-10(14-6-4-5-7-15(14)16(17,18)19)20-9-8-13-11(2)21-22-12(13)3/h4-7,10,20H,8-9H2,1-3H3
InChIKeyGFPHFTNCCLGADE-UHFFFAOYSA-N
MW312.34 g/mol
LogP4.20
Rot. Bonds5

About N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine (PubChem CID 75428017) has the molecular formula C16H19F3N2O and a molecular weight of 312.34 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
PubChem CID75428017
Molecular FormulaC16H19F3N2O
Molecular Weight312.34 g/mol
Exact Mass312.14
IUPAC NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
SMILESCc1noc(C)c1CCNC(C)c1ccccc1C(F)(F)F
InChIInChI=1S/C16H19F3N2O/c1-10(14-6-4-5-7-15(14)16(17,18)19)20-9-8-13-11(2)21-22-12(13)3/h4-7,10,20H,8-9H2,1-3H3
InChIKeyGFPHFTNCCLGADE-UHFFFAOYSA-N
XLogP4.20
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.34
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine
CID 133347534
(2R)-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]propan-2-amine
CID 129480409
3,5-dimethyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]-1,2-oxazole-4-carboxamide
CID 75462133
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 103777178
4-methyl-N-[1-[2-(trifluoromethyl)phenyl]ethyl]pentan-1-amine
CID 63452516
(1S)-1-(2-bromophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
CID 81383318
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(trifluoromethyl)phenyl]propanamide
CID 110650465
N-(2-methylsulfonylethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 54931550
N-(2-ethylsulfonylethyl)-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 75427916
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]butan-2-amine
CID 115718218
N-[2-(cyclohexen-1-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine
CID 43096041
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-2-(trifluoromethyl)aniline
CID 79241805

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine (CID 75428017) is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine is Cc1noc(C)c1CCNC(C)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is GFPHFTNCCLGADE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O/c1-10(14-6-4-5-7-15(14)16(17,18)19)20-9-8-13-11(2)21-22-12(13)3/h4-7,10,20H,8-9H2,1-3H3.
What are the key properties of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine?
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 312.34 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[2-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 75428017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).