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

C11H4F5NO3 — CID 103199410

IUPAC2-(2,3-difluorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1oc(-c2cccc(F)c2F)nc1C(F)(F)F
InChIInChI=1S/C11H4F5NO3/c12-5-3-1-2-4(6(5)13)9-17-8(11(14,15)16)7(20-9)10(18)19/h1-3H,(H,18,19)
InChIKeyAZHOBXJXRNSHOH-UHFFFAOYSA-N
MW293.15 g/mol
LogP3.34
Rot. Bonds2

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

2-(2,3-difluorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid (PubChem CID 103199410) has the molecular formula C11H4F5NO3 and a molecular weight of 293.15 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
PubChem CID103199410
Molecular FormulaC11H4F5NO3
Molecular Weight293.15 g/mol
Exact Mass293.01
IUPAC Name2-(2,3-difluorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)c1oc(-c2cccc(F)c2F)nc1C(F)(F)F
InChIInChI=1S/C11H4F5NO3/c12-5-3-1-2-4(6(5)13)9-17-8(11(14,15)16)7(20-9)10(18)19/h1-3H,(H,18,19)
InChIKeyAZHOBXJXRNSHOH-UHFFFAOYSA-N
XLogP3.34
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.15
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-chloro-4-fluorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 103199380
2-(5-fluoro-2-methylphenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 103199281
3-(2,3-difluorophenyl)-2-fluorobenzoic acid
CID 113242003
2-(2,3-difluorophenyl)-3-fluorobenzoic acid
CID 134630571
2-(3-bromo-2-fluorophenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 107953427
2-(3-bromo-2-methylphenyl)-4-tert-butyl-1,3-oxazole-5-carboxylic acid
CID 114372947
2-(2,3-difluorophenyl)-4,5-difluorobenzoic acid
CID 118807060
2-(2-chloro-3-fluorophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 113459765
4-(trifluoromethyl)-2-(2,4,5-trimethylfuran-3-yl)-1,3-oxazole-5-carboxylic acid
CID 103199343
2-(5-cyano-2-pyridinyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 103199450
2-(2,3-difluorophenyl)-5-(trifluoromethyl)pyridine-3-carboxylic acid
CID 118808003
6-amino-5-(2,3-difluorophenyl)pyridine-3-carboxylic acid
CID 133086684

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(2,3-difluorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid (CID 103199410) is 2-(2,3-difluorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(2,3-difluorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(2,3-difluorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid is O=C(O)c1oc(-c2cccc(F)c2F)nc1C(F)(F)F.
What is the InChIKey of 2-(2,3-difluorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is AZHOBXJXRNSHOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H4F5NO3/c12-5-3-1-2-4(6(5)13)9-17-8(11(14,15)16)7(20-9)10(18)19/h1-3H,(H,18,19).
What are the key properties of 2-(2,3-difluorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
2-(2,3-difluorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 293.15 g/mol, XLogP of 3.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 103199410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).