methyl 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate

C7H6F3NO3 — CID 59420120

IUPACmethyl 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1nc(C)oc1C(F)(F)F
InChIInChI=1S/C7H6F3NO3/c1-3-11-4(6(12)13-2)5(14-3)7(8,9)10/h1-2H3
InChIKeyVGLYRRWWKHLIAH-UHFFFAOYSA-N
MW209.12 g/mol
LogP1.79
Rot. Bonds1

About methyl 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate

methyl 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate (PubChem CID 59420120) has the molecular formula C7H6F3NO3 and a molecular weight of 209.12 g/mol. Its IUPAC name is methyl 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate
PubChem CID59420120
Molecular FormulaC7H6F3NO3
Molecular Weight209.12 g/mol
Exact Mass209.03
IUPAC Namemethyl 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate
SMILESCOC(=O)c1nc(C)oc1C(F)(F)F
InChIInChI=1S/C7H6F3NO3/c1-3-11-4(6(12)13-2)5(14-3)7(8,9)10/h1-2H3
InChIKeyVGLYRRWWKHLIAH-UHFFFAOYSA-N
XLogP1.79
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.12
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate?
The IUPAC name of methyl 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate (CID 59420120) is methyl 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate.
What is the SMILES notation for methyl 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate?
The canonical SMILES for methyl 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate is COC(=O)c1nc(C)oc1C(F)(F)F.
What is the InChIKey of methyl 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate?
The InChIKey is VGLYRRWWKHLIAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO3/c1-3-11-4(6(12)13-2)5(14-3)7(8,9)10/h1-2H3.
What are the key properties of methyl 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate?
methyl 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate has a molecular weight of 209.12 g/mol, XLogP of 1.79, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate is sourced from PubChem (CID 59420120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).