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

C7H6F3NO3 — CID 135137235

IUPAC5-(3,3,3-trifluoropropyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(CCC(F)(F)F)on1
InChIInChI=1S/C7H6F3NO3/c8-7(9,10)2-1-4-3-5(6(12)13)11-14-4/h3H,1-2H2,(H,12,13)
InChIKeyMQGDZYDLSSLTAJ-UHFFFAOYSA-N
MW209.12 g/mol
LogP1.87
Rot. Bonds3

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

5-(3,3,3-trifluoropropyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 135137235) has the molecular formula C7H6F3NO3 and a molecular weight of 209.12 g/mol. Its IUPAC name is 5-(3,3,3-trifluoropropyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(3,3,3-trifluoropropyl)-1,2-oxazole-3-carboxylic acid
PubChem CID135137235
Molecular FormulaC7H6F3NO3
Molecular Weight209.12 g/mol
Exact Mass209.03
IUPAC Name5-(3,3,3-trifluoropropyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(CCC(F)(F)F)on1
InChIInChI=1S/C7H6F3NO3/c8-7(9,10)2-1-4-3-5(6(12)13)11-14-4/h3H,1-2H2,(H,12,13)
InChIKeyMQGDZYDLSSLTAJ-UHFFFAOYSA-N
XLogP1.87
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.12
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3,3-trifluoropropyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(3,3,3-trifluoropropyl)-1,2-oxazole-3-carboxylic acid (CID 135137235) is 5-(3,3,3-trifluoropropyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(3,3,3-trifluoropropyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(3,3,3-trifluoropropyl)-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(CCC(F)(F)F)on1.
What is the InChIKey of 5-(3,3,3-trifluoropropyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is MQGDZYDLSSLTAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO3/c8-7(9,10)2-1-4-3-5(6(12)13)11-14-4/h3H,1-2H2,(H,12,13).
What are the key properties of 5-(3,3,3-trifluoropropyl)-1,2-oxazole-3-carboxylic acid?
5-(3,3,3-trifluoropropyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 209.12 g/mol, XLogP of 1.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3,3-trifluoropropyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 135137235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).