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

C6H4F3NO3 — CID 112756546

IUPACmethyl 2-(trifluoromethyl)-1,3-oxazole-5-carboxylate
SMILESCOC(=O)c1cnc(C(F)(F)F)o1
InChIInChI=1S/C6H4F3NO3/c1-12-4(11)3-2-10-5(13-3)6(7,8)9/h2H,1H3
InChIKeyMABXXVJGKJMSSA-UHFFFAOYSA-N
MW195.10 g/mol
LogP1.48
Rot. Bonds1

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

methyl 2-(trifluoromethyl)-1,3-oxazole-5-carboxylate (PubChem CID 112756546) has the molecular formula C6H4F3NO3 and a molecular weight of 195.10 g/mol. Its IUPAC name is methyl 2-(trifluoromethyl)-1,3-oxazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-(trifluoromethyl)-1,3-oxazole-5-carboxylate
PubChem CID112756546
Molecular FormulaC6H4F3NO3
Molecular Weight195.10 g/mol
Exact Mass195.01
IUPAC Namemethyl 2-(trifluoromethyl)-1,3-oxazole-5-carboxylate
SMILESCOC(=O)c1cnc(C(F)(F)F)o1
InChIInChI=1S/C6H4F3NO3/c1-12-4(11)3-2-10-5(13-3)6(7,8)9/h2H,1H3
InChIKeyMABXXVJGKJMSSA-UHFFFAOYSA-N
XLogP1.48
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.10
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(trifluoromethyl)-1,3-oxazole-5-carboxylate?
The IUPAC name of methyl 2-(trifluoromethyl)-1,3-oxazole-5-carboxylate (CID 112756546) is methyl 2-(trifluoromethyl)-1,3-oxazole-5-carboxylate.
What is the SMILES notation for methyl 2-(trifluoromethyl)-1,3-oxazole-5-carboxylate?
The canonical SMILES for methyl 2-(trifluoromethyl)-1,3-oxazole-5-carboxylate is COC(=O)c1cnc(C(F)(F)F)o1.
What is the InChIKey of methyl 2-(trifluoromethyl)-1,3-oxazole-5-carboxylate?
The InChIKey is MABXXVJGKJMSSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4F3NO3/c1-12-4(11)3-2-10-5(13-3)6(7,8)9/h2H,1H3.
What are the key properties of methyl 2-(trifluoromethyl)-1,3-oxazole-5-carboxylate?
methyl 2-(trifluoromethyl)-1,3-oxazole-5-carboxylate has a molecular weight of 195.10 g/mol, XLogP of 1.48, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(trifluoromethyl)-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 112756546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).