5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazole-3-carboxylic acid

C7H6F3NO4 — CID 61397599

IUPAC5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(COCC(F)(F)F)on1
InChIInChI=1S/C7H6F3NO4/c8-7(9,10)3-14-2-4-1-5(6(12)13)11-15-4/h1H,2-3H2,(H,12,13)
InChIKeyNZHXONBTMZHGIL-UHFFFAOYSA-N
MW225.12 g/mol
LogP1.45
Rot. Bonds4

About 5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazole-3-carboxylic acid

5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 61397599) has the molecular formula C7H6F3NO4 and a molecular weight of 225.12 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazole-3-carboxylic acid
PubChem CID61397599
Molecular FormulaC7H6F3NO4
Molecular Weight225.12 g/mol
Exact Mass225.02
IUPAC Name5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(COCC(F)(F)F)on1
InChIInChI=1S/C7H6F3NO4/c8-7(9,10)3-14-2-4-1-5(6(12)13)11-15-4/h1H,2-3H2,(H,12,13)
InChIKeyNZHXONBTMZHGIL-UHFFFAOYSA-N
XLogP1.45
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.12
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(Hydroxymethyl)-1,2-oxazole-3-carboxylic acid
CID 8027249
Methyl 5-(hydroxymethyl)-1,2-oxazole-3-carboxylate
CID 10034860
Ethyl 5-(hydroxymethyl)isoxazole-3-carboxylate
CID 8027233
Methyl 5-formyl-1,2-oxazole-3-carboxylate
CID 24976859
5-(Difluoromethyl)-1,2-oxazole-3-carboxylic acid
CID 84651491
5-(Fluoromethyl)-1,2-oxazole-3-carboxylic acid
CID 10374574
Ethyl 5-formylisoxazole-3-carboxylate
CID 14439317
5-(Methoxymethyl)-1,2-oxazole-3-carboxylic acid
CID 19374997
[5-(Methoxymethyl)-1,2-oxazol-3-yl]methanol
CID 19958730
5-(Trifluoromethyl)-3-isoxazolecarboxylic acid
CID 19991628
3-Ethyl 3,5-isoxazoledicarboxylate
CID 21648486
3-(Methoxymethyl)-1,2-oxazole-5-carboxylic acid
CID 57582331

Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazole-3-carboxylic acid (CID 61397599) is 5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(COCC(F)(F)F)on1.
What is the InChIKey of 5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is NZHXONBTMZHGIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO4/c8-7(9,10)3-14-2-4-1-5(6(12)13)11-15-4/h1H,2-3H2,(H,12,13).
What are the key properties of 5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazole-3-carboxylic acid?
5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 225.12 g/mol, XLogP of 1.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoroethoxymethyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 61397599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).