5-(2,3,4-trifluorophenyl)-1,2-oxazole-3-carboxylic acid

C10H4F3NO3 — CID 83810758

IUPAC5-(2,3,4-trifluorophenyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(F)c(F)c2F)on1
InChIInChI=1S/C10H4F3NO3/c11-5-2-1-4(8(12)9(5)13)7-3-6(10(15)16)14-17-7/h1-3H,(H,15,16)
InChIKeyMEBOUBLTJXBIPX-UHFFFAOYSA-N
MW243.14 g/mol
LogP2.46
Rot. Bonds2

About 5-(2,3,4-trifluorophenyl)-1,2-oxazole-3-carboxylic acid

5-(2,3,4-trifluorophenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 83810758) has the molecular formula C10H4F3NO3 and a molecular weight of 243.14 g/mol. Its IUPAC name is 5-(2,3,4-trifluorophenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2,3,4-trifluorophenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID83810758
Molecular FormulaC10H4F3NO3
Molecular Weight243.14 g/mol
Exact Mass243.01
IUPAC Name5-(2,3,4-trifluorophenyl)-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(-c2ccc(F)c(F)c2F)on1
InChIInChI=1S/C10H4F3NO3/c11-5-2-1-4(8(12)9(5)13)7-3-6(10(15)16)14-17-7/h1-3H,(H,15,16)
InChIKeyMEBOUBLTJXBIPX-UHFFFAOYSA-N
XLogP2.46
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.14
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3,4-trifluorophenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(2,3,4-trifluorophenyl)-1,2-oxazole-3-carboxylic acid (CID 83810758) is 5-(2,3,4-trifluorophenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(2,3,4-trifluorophenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(2,3,4-trifluorophenyl)-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(-c2ccc(F)c(F)c2F)on1.
What is the InChIKey of 5-(2,3,4-trifluorophenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is MEBOUBLTJXBIPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H4F3NO3/c11-5-2-1-4(8(12)9(5)13)7-3-6(10(15)16)14-17-7/h1-3H,(H,15,16).
What are the key properties of 5-(2,3,4-trifluorophenyl)-1,2-oxazole-3-carboxylic acid?
5-(2,3,4-trifluorophenyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 243.14 g/mol, XLogP of 2.46, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3,4-trifluorophenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 83810758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).