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

C12H10F4N2O — CID 106415122

IUPACN-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(1,2-oxazol-5-yl)methanamine
SMILESFc1cc(CNCc2ccno2)cc(C(F)(F)F)c1
InChIInChI=1S/C12H10F4N2O/c13-10-4-8(3-9(5-10)12(14,15)16)6-17-7-11-1-2-18-19-11/h1-5,17H,6-7H2
InChIKeyVFYQLFRHXXTOEH-UHFFFAOYSA-N
MW274.22 g/mol
LogP3.12
Rot. Bonds4

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

N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(1,2-oxazol-5-yl)methanamine (PubChem CID 106415122) has the molecular formula C12H10F4N2O and a molecular weight of 274.22 g/mol. Its IUPAC name is N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(1,2-oxazol-5-yl)methanamine.

Molecular Properties

Compound NameN-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(1,2-oxazol-5-yl)methanamine
PubChem CID106415122
Molecular FormulaC12H10F4N2O
Molecular Weight274.22 g/mol
Exact Mass274.07
IUPAC NameN-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(1,2-oxazol-5-yl)methanamine
SMILESFc1cc(CNCc2ccno2)cc(C(F)(F)F)c1
InChIInChI=1S/C12H10F4N2O/c13-10-4-8(3-9(5-10)12(14,15)16)6-17-7-11-1-2-18-19-11/h1-5,17H,6-7H2
InChIKeyVFYQLFRHXXTOEH-UHFFFAOYSA-N
XLogP3.12
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.22
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-1,2-oxazole-5-carboxamide
CID 91004792
N-((1-(4-fluorophenyl)cyclopropyl)methyl)isoxazole-5-carboxamide
CID 45560922
3-(4-fluorophenyl)-N-(isoxazol-5-ylmethyl)-3-phenylpropanamide
CID 46983011
1-(2,4-difluorophenyl)-N-methyl-N-(1,2-oxazol-5-ylmethyl)methanamine
CID 71943105
5-[[4-[(2,5-Difluorophenyl)methyl]piperazin-1-yl]methyl]-1,2-oxazole
CID 132394857
4-isocyano-N-(1,2-oxazol-5-ylmethyl)-N-(2,2,2-trifluoroethyl)-3-(trifluoromethyl)aniline
CID 57771165
N-(1,2-oxazol-5-ylmethyl)-1-[2-(trifluoromethyl)phenyl]methanamine
CID 106414866
1-[3,5-bis(trifluoromethyl)phenyl]-N-[(3-methyl-1,2-oxazol-5-yl)methyl]methanamine
CID 151780223
N-[1-(4-fluorophenyl)-2-methylpropan-2-yl]-1,2-oxazole-5-carboxamide
CID 23732491
N-methyl-N-(1,2-oxazol-5-ylmethyl)-2-[3-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]piperazin-2-yl]acetamide
CID 45244303
(3R)-3-(4-fluorophenyl)-N-(1,2-oxazol-5-ylmethyl)-3-phenylpropanamide
CID 52377752
(3S)-3-(4-fluorophenyl)-N-(1,2-oxazol-5-ylmethyl)-3-phenylpropanamide
CID 52377753

Frequently Asked Questions

What is the IUPAC name of N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(1,2-oxazol-5-yl)methanamine?
The IUPAC name of N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(1,2-oxazol-5-yl)methanamine (CID 106415122) is N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(1,2-oxazol-5-yl)methanamine.
What is the SMILES notation for N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(1,2-oxazol-5-yl)methanamine?
The canonical SMILES for N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(1,2-oxazol-5-yl)methanamine is Fc1cc(CNCc2ccno2)cc(C(F)(F)F)c1.
What is the InChIKey of N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(1,2-oxazol-5-yl)methanamine?
The InChIKey is VFYQLFRHXXTOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F4N2O/c13-10-4-8(3-9(5-10)12(14,15)16)6-17-7-11-1-2-18-19-11/h1-5,17H,6-7H2.
What are the key properties of N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(1,2-oxazol-5-yl)methanamine?
N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(1,2-oxazol-5-yl)methanamine has a molecular weight of 274.22 g/mol, XLogP of 3.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-1-(1,2-oxazol-5-yl)methanamine is sourced from PubChem (CID 106415122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).