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

C14H15F3N2O — CID 115084120

IUPACN-methyl-2-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]ethanamine
SMILESCNCCc1coc(Cc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C14H15F3N2O/c1-18-7-6-12-9-20-13(19-12)8-10-2-4-11(5-3-10)14(15,16)17/h2-5,9,18H,6-8H2,1H3
InChIKeyPZXDAQKUHPMROP-UHFFFAOYSA-N
MW284.28 g/mol
LogP3.05
Rot. Bonds5

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

N-methyl-2-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]ethanamine (PubChem CID 115084120) has the molecular formula C14H15F3N2O and a molecular weight of 284.28 g/mol. Its IUPAC name is N-methyl-2-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]ethanamine.

Molecular Properties

Compound NameN-methyl-2-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]ethanamine
PubChem CID115084120
Molecular FormulaC14H15F3N2O
Molecular Weight284.28 g/mol
Exact Mass284.11
IUPAC NameN-methyl-2-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]ethanamine
SMILESCNCCc1coc(Cc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C14H15F3N2O/c1-18-7-6-12-9-20-13(19-12)8-10-2-4-11(5-3-10)14(15,16)17/h2-5,9,18H,6-8H2,1H3
InChIKeyPZXDAQKUHPMROP-UHFFFAOYSA-N
XLogP3.05
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propanoic acid
CID 115084171
1-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-2-amine
CID 115084121
N-methyl-2-[2-(thiophen-2-ylmethyl)-1,3-oxazol-4-yl]ethanamine
CID 115084790
N-methyl-3-[5-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62136889
2-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]propan-1-ol
CID 115084078
N-methyl-3-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-5-yl]propan-1-amine
CID 115086973
4-ethyl-2-[[3-(trifluoromethyl)phenyl]methyl]-1,3-oxazole
CID 163606669
N-methyl-2-[1-[[4-(trifluoromethyl)phenyl]methyl]imidazol-4-yl]ethanamine
CID 79985317
2-[[4-(trifluoromethyl)phenyl]methyl]-1,3,4-oxadiazole
CID 163697697
2-[2-[(4-chlorophenyl)methyl]-1,3-oxazol-4-yl]ethanamine
CID 115084128
2-[2-(difluoromethyl)-1,3-oxazol-4-yl]-N-methylethanamine
CID 84767071
3-[2-(2,2-dimethylpropyl)-1,3-oxazol-4-yl]-N-methylpropan-1-amine
CID 115084234

Frequently Asked Questions

What is the IUPAC name of N-methyl-2-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]ethanamine?
The IUPAC name of N-methyl-2-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]ethanamine (CID 115084120) is N-methyl-2-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]ethanamine.
What is the SMILES notation for N-methyl-2-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]ethanamine?
The canonical SMILES for N-methyl-2-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]ethanamine is CNCCc1coc(Cc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of N-methyl-2-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]ethanamine?
The InChIKey is PZXDAQKUHPMROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O/c1-18-7-6-12-9-20-13(19-12)8-10-2-4-11(5-3-10)14(15,16)17/h2-5,9,18H,6-8H2,1H3.
What are the key properties of N-methyl-2-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]ethanamine?
N-methyl-2-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]ethanamine has a molecular weight of 284.28 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-2-[2-[[4-(trifluoromethyl)phenyl]methyl]-1,3-oxazol-4-yl]ethanamine is sourced from PubChem (CID 115084120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).