[3-methyl-2-[4-(trifluoromethyl)-3-pyridinyl]-2H-1,3-oxazol-5-yl]methanamine

C11H12F3N3O — CID 18542102

IUPAC[3-methyl-2-[4-(trifluoromethyl)-3-pyridinyl]-2H-1,3-oxazol-5-yl]methanamine
SMILESCN1C=C(CN)OC1c1cnccc1C(F)(F)F
InChIInChI=1S/C11H12F3N3O/c1-17-6-7(4-15)18-10(17)8-5-16-3-2-9(8)11(12,13)14/h2-3,5-6,10H,4,15H2,1H3
InChIKeyRBSOQYGOFXCGOK-UHFFFAOYSA-N
MW259.23 g/mol
LogP1.86
Rot. Bonds2

About [3-methyl-2-[4-(trifluoromethyl)-3-pyridinyl]-2H-1,3-oxazol-5-yl]methanamine

[3-methyl-2-[4-(trifluoromethyl)-3-pyridinyl]-2H-1,3-oxazol-5-yl]methanamine (PubChem CID 18542102) has the molecular formula C11H12F3N3O and a molecular weight of 259.23 g/mol. Its IUPAC name is [3-methyl-2-[4-(trifluoromethyl)-3-pyridinyl]-2H-1,3-oxazol-5-yl]methanamine.

Molecular Properties

Compound Name[3-methyl-2-[4-(trifluoromethyl)-3-pyridinyl]-2H-1,3-oxazol-5-yl]methanamine
PubChem CID18542102
Molecular FormulaC11H12F3N3O
Molecular Weight259.23 g/mol
Exact Mass259.09
IUPAC Name[3-methyl-2-[4-(trifluoromethyl)-3-pyridinyl]-2H-1,3-oxazol-5-yl]methanamine
SMILESCN1C=C(CN)OC1c1cnccc1C(F)(F)F
InChIInChI=1S/C11H12F3N3O/c1-17-6-7(4-15)18-10(17)8-5-16-3-2-9(8)11(12,13)14/h2-3,5-6,10H,4,15H2,1H3
InChIKeyRBSOQYGOFXCGOK-UHFFFAOYSA-N
XLogP1.86
TPSA51.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-methyl-2-[4-(trifluoromethyl)-3-pyridinyl]-2H-1,3-oxazol-5-yl]methanamine?
The IUPAC name of [3-methyl-2-[4-(trifluoromethyl)-3-pyridinyl]-2H-1,3-oxazol-5-yl]methanamine (CID 18542102) is [3-methyl-2-[4-(trifluoromethyl)-3-pyridinyl]-2H-1,3-oxazol-5-yl]methanamine.
What is the SMILES notation for [3-methyl-2-[4-(trifluoromethyl)-3-pyridinyl]-2H-1,3-oxazol-5-yl]methanamine?
The canonical SMILES for [3-methyl-2-[4-(trifluoromethyl)-3-pyridinyl]-2H-1,3-oxazol-5-yl]methanamine is CN1C=C(CN)OC1c1cnccc1C(F)(F)F.
What is the InChIKey of [3-methyl-2-[4-(trifluoromethyl)-3-pyridinyl]-2H-1,3-oxazol-5-yl]methanamine?
The InChIKey is RBSOQYGOFXCGOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3N3O/c1-17-6-7(4-15)18-10(17)8-5-16-3-2-9(8)11(12,13)14/h2-3,5-6,10H,4,15H2,1H3.
What are the key properties of [3-methyl-2-[4-(trifluoromethyl)-3-pyridinyl]-2H-1,3-oxazol-5-yl]methanamine?
[3-methyl-2-[4-(trifluoromethyl)-3-pyridinyl]-2H-1,3-oxazol-5-yl]methanamine has a molecular weight of 259.23 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-methyl-2-[4-(trifluoromethyl)-3-pyridinyl]-2H-1,3-oxazol-5-yl]methanamine is sourced from PubChem (CID 18542102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).