5-amino-2-methyl-3-[4-(trifluoromethoxy)phenyl]-3H-1,2-oxazole-4-carboxylic acid

C12H11F3N2O4 — CID 89158088

IUPAC5-amino-2-methyl-3-[4-(trifluoromethoxy)phenyl]-3H-1,2-oxazole-4-carboxylic acid
SMILESCN1OC(N)=C(C(=O)O)C1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H11F3N2O4/c1-17-9(8(11(18)19)10(16)21-17)6-2-4-7(5-3-6)20-12(13,14)15/h2-5,9H,16H2,1H3,(H,18,19)
InChIKeyZFNUPVJIYKKZPU-UHFFFAOYSA-N
MW304.22 g/mol
LogP1.76
Rot. Bonds3

About 5-amino-2-methyl-3-[4-(trifluoromethoxy)phenyl]-3H-1,2-oxazole-4-carboxylic acid

5-amino-2-methyl-3-[4-(trifluoromethoxy)phenyl]-3H-1,2-oxazole-4-carboxylic acid (PubChem CID 89158088) has the molecular formula C12H11F3N2O4 and a molecular weight of 304.22 g/mol. Its IUPAC name is 5-amino-2-methyl-3-[4-(trifluoromethoxy)phenyl]-3H-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-amino-2-methyl-3-[4-(trifluoromethoxy)phenyl]-3H-1,2-oxazole-4-carboxylic acid
PubChem CID89158088
Molecular FormulaC12H11F3N2O4
Molecular Weight304.22 g/mol
Exact Mass304.07
IUPAC Name5-amino-2-methyl-3-[4-(trifluoromethoxy)phenyl]-3H-1,2-oxazole-4-carboxylic acid
SMILESCN1OC(N)=C(C(=O)O)C1c1ccc(OC(F)(F)F)cc1
InChIInChI=1S/C12H11F3N2O4/c1-17-9(8(11(18)19)10(16)21-17)6-2-4-7(5-3-6)20-12(13,14)15/h2-5,9H,16H2,1H3,(H,18,19)
InChIKeyZFNUPVJIYKKZPU-UHFFFAOYSA-N
XLogP1.76
TPSA85.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.22
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-methyl-3-[4-(trifluoromethoxy)phenyl]-3H-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-amino-2-methyl-3-[4-(trifluoromethoxy)phenyl]-3H-1,2-oxazole-4-carboxylic acid (CID 89158088) is 5-amino-2-methyl-3-[4-(trifluoromethoxy)phenyl]-3H-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-amino-2-methyl-3-[4-(trifluoromethoxy)phenyl]-3H-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-amino-2-methyl-3-[4-(trifluoromethoxy)phenyl]-3H-1,2-oxazole-4-carboxylic acid is CN1OC(N)=C(C(=O)O)C1c1ccc(OC(F)(F)F)cc1.
What is the InChIKey of 5-amino-2-methyl-3-[4-(trifluoromethoxy)phenyl]-3H-1,2-oxazole-4-carboxylic acid?
The InChIKey is ZFNUPVJIYKKZPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11F3N2O4/c1-17-9(8(11(18)19)10(16)21-17)6-2-4-7(5-3-6)20-12(13,14)15/h2-5,9H,16H2,1H3,(H,18,19).
What are the key properties of 5-amino-2-methyl-3-[4-(trifluoromethoxy)phenyl]-3H-1,2-oxazole-4-carboxylic acid?
5-amino-2-methyl-3-[4-(trifluoromethoxy)phenyl]-3H-1,2-oxazole-4-carboxylic acid has a molecular weight of 304.22 g/mol, XLogP of 1.76, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-methyl-3-[4-(trifluoromethoxy)phenyl]-3H-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 89158088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).