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

C15H17F3N2O — CID 103893456

IUPACN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCc1cnc(C(C)NC(C)c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C15H17F3N2O/c1-9-8-19-14(21-9)11(3)20-10(2)12-5-4-6-13(7-12)15(16,17)18/h4-8,10-11,20H,1-3H3
InChIKeyPWENXOLYLMYYDQ-UHFFFAOYSA-N
MW298.31 g/mol
LogP4.41
Rot. Bonds4

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

N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]ethanamine (PubChem CID 103893456) has the molecular formula C15H17F3N2O and a molecular weight of 298.31 g/mol. Its IUPAC name is N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]ethanamine.

Molecular Properties

Compound NameN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
PubChem CID103893456
Molecular FormulaC15H17F3N2O
Molecular Weight298.31 g/mol
Exact Mass298.13
IUPAC NameN-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
SMILESCc1cnc(C(C)NC(C)c2cccc(C(F)(F)F)c2)o1
InChIInChI=1S/C15H17F3N2O/c1-9-8-19-14(21-9)11(3)20-10(2)12-5-4-6-13(7-12)15(16,17)18/h4-8,10-11,20H,1-3H3
InChIKeyPWENXOLYLMYYDQ-UHFFFAOYSA-N
XLogP4.41
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.31
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(furan-2-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 81403701
1-(4-fluoro-3-methoxyphenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]ethanamine
CID 103893791
(1S)-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 7023585
1-(3-bromophenyl)-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]propan-1-amine
CID 106387901
N-[(1S)-1-[3-(trifluoromethyl)phenyl]ethyl]hydroxylamine
CID 124574091
(1S)-1-cyclohexyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]ethanamine
CID 81390965
6-methyl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]pyridine-3-carboxamide
CID 42936491
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 112831466
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-phenylbutan-1-amine
CID 106387943
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]ethanamine
CID 106395347
ethyl 2-[1-[3-(trifluoromethyl)phenyl]ethylamino]propanoate
CID 61498388
N-[(1S)-1-[3,5-bis(trifluoromethyl)phenyl]ethyl]-1-phenylethanamine
CID 89273186

Frequently Asked Questions

What is the IUPAC name of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]ethanamine?
The IUPAC name of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]ethanamine (CID 103893456) is N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]ethanamine.
What is the SMILES notation for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]ethanamine?
The canonical SMILES for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]ethanamine is Cc1cnc(C(C)NC(C)c2cccc(C(F)(F)F)c2)o1.
What is the InChIKey of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]ethanamine?
The InChIKey is PWENXOLYLMYYDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N2O/c1-9-8-19-14(21-9)11(3)20-10(2)12-5-4-6-13(7-12)15(16,17)18/h4-8,10-11,20H,1-3H3.
What are the key properties of N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]ethanamine?
N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]ethanamine has a molecular weight of 298.31 g/mol, XLogP of 4.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]-1-[3-(trifluoromethyl)phenyl]ethanamine is sourced from PubChem (CID 103893456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).