2-methyl-3-[4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]propanoic acid

C9H10F3NO3 — CID 84699879

IUPAC2-methyl-3-[4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]propanoic acid
SMILESCc1nc(C(F)(F)F)oc1CC(C)C(=O)O
InChIInChI=1S/C9H10F3NO3/c1-4(7(14)15)3-6-5(2)13-8(16-6)9(10,11)12/h4H,3H2,1-2H3,(H,14,15)
InChIKeyBAUMNMAPCIEKHV-UHFFFAOYSA-N
MW237.18 g/mol
LogP2.27
Rot. Bonds3

About 2-methyl-3-[4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]propanoic acid

2-methyl-3-[4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]propanoic acid (PubChem CID 84699879) has the molecular formula C9H10F3NO3 and a molecular weight of 237.18 g/mol. Its IUPAC name is 2-methyl-3-[4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]propanoic acid.

Molecular Properties

Compound Name2-methyl-3-[4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]propanoic acid
PubChem CID84699879
Molecular FormulaC9H10F3NO3
Molecular Weight237.18 g/mol
Exact Mass237.06
IUPAC Name2-methyl-3-[4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]propanoic acid
SMILESCc1nc(C(F)(F)F)oc1CC(C)C(=O)O
InChIInChI=1S/C9H10F3NO3/c1-4(7(14)15)3-6-5(2)13-8(16-6)9(10,11)12/h4H,3H2,1-2H3,(H,14,15)
InChIKeyBAUMNMAPCIEKHV-UHFFFAOYSA-N
XLogP2.27
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-[4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]propanoic acid?
The IUPAC name of 2-methyl-3-[4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]propanoic acid (CID 84699879) is 2-methyl-3-[4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]propanoic acid.
What is the SMILES notation for 2-methyl-3-[4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]propanoic acid?
The canonical SMILES for 2-methyl-3-[4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]propanoic acid is Cc1nc(C(F)(F)F)oc1CC(C)C(=O)O.
What is the InChIKey of 2-methyl-3-[4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]propanoic acid?
The InChIKey is BAUMNMAPCIEKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO3/c1-4(7(14)15)3-6-5(2)13-8(16-6)9(10,11)12/h4H,3H2,1-2H3,(H,14,15).
What are the key properties of 2-methyl-3-[4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]propanoic acid?
2-methyl-3-[4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]propanoic acid has a molecular weight of 237.18 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-[4-methyl-2-(trifluoromethyl)-1,3-oxazol-5-yl]propanoic acid is sourced from PubChem (CID 84699879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).