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

C12H11F3N2O — CID 79494954

IUPAC1-(1,2-oxazol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
SMILESFC(F)(F)c1ccccc1CNCc1ccon1
InChIInChI=1S/C12H11F3N2O/c13-12(14,15)11-4-2-1-3-9(11)7-16-8-10-5-6-18-17-10/h1-6,16H,7-8H2
InChIKeyOKGKTXSAMGEYLI-UHFFFAOYSA-N
MW256.23 g/mol
LogP2.98
Rot. Bonds4

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

1-(1,2-oxazol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine (PubChem CID 79494954) has the molecular formula C12H11F3N2O and a molecular weight of 256.23 g/mol. Its IUPAC name is 1-(1,2-oxazol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine.

Molecular Properties

Compound Name1-(1,2-oxazol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
PubChem CID79494954
Molecular FormulaC12H11F3N2O
Molecular Weight256.23 g/mol
Exact Mass256.08
IUPAC Name1-(1,2-oxazol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
SMILESFC(F)(F)c1ccccc1CNCc1ccon1
InChIInChI=1S/C12H11F3N2O/c13-12(14,15)11-4-2-1-3-9(11)7-16-8-10-5-6-18-17-10/h1-6,16H,7-8H2
InChIKeyOKGKTXSAMGEYLI-UHFFFAOYSA-N
XLogP2.98
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.23
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2-cyclopropylphenyl)methyl]-1-(1,2-oxazol-3-yl)methanamine
CID 79889646
1-(furan-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 60980661
1-pyridin-3-yl-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 18778355
N-[(5-bromo-3-pyridinyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 104796903
N-[(3,5-dichlorophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 62048756
N-(1,2-oxazol-3-ylmethyl)-2-[3-oxo-1-[[2-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
CID 56885196
1-(4-fluorophenyl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 834369
(E)-3-chloro-N-[[2-(trifluoromethyl)phenyl]methyl]prop-2-en-1-amine
CID 107899908
N-[(2,6-difluorophenyl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 62049514
1-(1,3-benzodioxol-5-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine
CID 3769404
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-[2-(trifluoromethyl)phenyl]methanamine
CID 103738802
N-(1,2-oxazol-3-ylmethyl)-2-(2,2,2-trifluoroethoxy)ethanamine
CID 81177065

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-oxazol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine?
The IUPAC name of 1-(1,2-oxazol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine (CID 79494954) is 1-(1,2-oxazol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine.
What is the SMILES notation for 1-(1,2-oxazol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine?
The canonical SMILES for 1-(1,2-oxazol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine is FC(F)(F)c1ccccc1CNCc1ccon1.
What is the InChIKey of 1-(1,2-oxazol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine?
The InChIKey is OKGKTXSAMGEYLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O/c13-12(14,15)11-4-2-1-3-9(11)7-16-8-10-5-6-18-17-10/h1-6,16H,7-8H2.
What are the key properties of 1-(1,2-oxazol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine?
1-(1,2-oxazol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine has a molecular weight of 256.23 g/mol, XLogP of 2.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,2-oxazol-3-yl)-N-[[2-(trifluoromethyl)phenyl]methyl]methanamine is sourced from PubChem (CID 79494954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).