(4R)-4-methyl-4-[3-(trifluoromethyl)phenyl]-5H-1,3-oxazol-2-amine

C11H11F3N2O — CID 59323626

IUPAC(4R)-4-methyl-4-[3-(trifluoromethyl)phenyl]-5H-1,3-oxazol-2-amine
SMILESC[C@@]1(c2cccc(C(F)(F)F)c2)COC(N)=N1
InChIInChI=1S/C11H11F3N2O/c1-10(6-17-9(15)16-10)7-3-2-4-8(5-7)11(12,13)14/h2-5H,6H2,1H3,(H2,15,16)/t10-/m0/s1
InChIKeyGYMGJUGLBJIETD-JTQLQIEISA-N
MW244.22 g/mol
LogP2.27
Rot. Bonds1

About (4R)-4-methyl-4-[3-(trifluoromethyl)phenyl]-5H-1,3-oxazol-2-amine

(4R)-4-methyl-4-[3-(trifluoromethyl)phenyl]-5H-1,3-oxazol-2-amine (PubChem CID 59323626) has the molecular formula C11H11F3N2O and a molecular weight of 244.22 g/mol. Its IUPAC name is (4R)-4-methyl-4-[3-(trifluoromethyl)phenyl]-5H-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4R)-4-methyl-4-[3-(trifluoromethyl)phenyl]-5H-1,3-oxazol-2-amine
PubChem CID59323626
Molecular FormulaC11H11F3N2O
Molecular Weight244.22 g/mol
Exact Mass244.08
IUPAC Name(4R)-4-methyl-4-[3-(trifluoromethyl)phenyl]-5H-1,3-oxazol-2-amine
SMILESC[C@@]1(c2cccc(C(F)(F)F)c2)COC(N)=N1
InChIInChI=1S/C11H11F3N2O/c1-10(6-17-9(15)16-10)7-3-2-4-8(5-7)11(12,13)14/h2-5H,6H2,1H3,(H2,15,16)/t10-/m0/s1
InChIKeyGYMGJUGLBJIETD-JTQLQIEISA-N
XLogP2.27
TPSA47.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.22
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-methyl-4-[3-(trifluoromethyl)phenyl]-5H-1,3-oxazol-2-amine?
The IUPAC name of (4R)-4-methyl-4-[3-(trifluoromethyl)phenyl]-5H-1,3-oxazol-2-amine (CID 59323626) is (4R)-4-methyl-4-[3-(trifluoromethyl)phenyl]-5H-1,3-oxazol-2-amine.
What is the SMILES notation for (4R)-4-methyl-4-[3-(trifluoromethyl)phenyl]-5H-1,3-oxazol-2-amine?
The canonical SMILES for (4R)-4-methyl-4-[3-(trifluoromethyl)phenyl]-5H-1,3-oxazol-2-amine is C[C@@]1(c2cccc(C(F)(F)F)c2)COC(N)=N1.
What is the InChIKey of (4R)-4-methyl-4-[3-(trifluoromethyl)phenyl]-5H-1,3-oxazol-2-amine?
The InChIKey is GYMGJUGLBJIETD-JTQLQIEISA-N. The full InChI is InChI=1S/C11H11F3N2O/c1-10(6-17-9(15)16-10)7-3-2-4-8(5-7)11(12,13)14/h2-5H,6H2,1H3,(H2,15,16)/t10-/m0/s1.
What are the key properties of (4R)-4-methyl-4-[3-(trifluoromethyl)phenyl]-5H-1,3-oxazol-2-amine?
(4R)-4-methyl-4-[3-(trifluoromethyl)phenyl]-5H-1,3-oxazol-2-amine has a molecular weight of 244.22 g/mol, XLogP of 2.27, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-methyl-4-[3-(trifluoromethyl)phenyl]-5H-1,3-oxazol-2-amine is sourced from PubChem (CID 59323626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).