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

C12H9F2NO3 — CID 113459766

IUPAC2-(2,5-difluorophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
SMILESCCc1nc(-c2cc(F)ccc2F)oc1C(=O)O
InChIInChI=1S/C12H9F2NO3/c1-2-9-10(12(16)17)18-11(15-9)7-5-6(13)3-4-8(7)14/h3-5H,2H2,1H3,(H,16,17)
InChIKeyYCRFHZQLLBDQBT-UHFFFAOYSA-N
MW253.20 g/mol
LogP2.88
Rot. Bonds3

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

2-(2,5-difluorophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid (PubChem CID 113459766) has the molecular formula C12H9F2NO3 and a molecular weight of 253.20 g/mol. Its IUPAC name is 2-(2,5-difluorophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(2,5-difluorophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
PubChem CID113459766
Molecular FormulaC12H9F2NO3
Molecular Weight253.20 g/mol
Exact Mass253.06
IUPAC Name2-(2,5-difluorophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
SMILESCCc1nc(-c2cc(F)ccc2F)oc1C(=O)O
InChIInChI=1S/C12H9F2NO3/c1-2-9-10(12(16)17)18-11(15-9)7-5-6(13)3-4-8(7)14/h3-5H,2H2,1H3,(H,16,17)
InChIKeyYCRFHZQLLBDQBT-UHFFFAOYSA-N
XLogP2.88
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.20
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-difluorophenyl)-4-(2-methylpropyl)-1,3-oxazole-5-carboxylic acid
CID 114374746
4-ethyl-2-(2-fluoro-4-methylphenyl)-1,3-oxazole-5-carboxylic acid
CID 104842478
2-(2,6-difluoro-3-methylphenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 113459772
2-(2-chloro-3-fluorophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 113459765
2-(4,5-difluoro-2-nitrophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842474
2-(2,5-dimethylfuran-3-yl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842341
4-ethyl-2-naphthalen-1-yl-1,3-oxazole-5-carboxylic acid
CID 104842342
4-ethyl-2-(2-fluoro-6-methoxyphenyl)-1,3-oxazole-5-carboxylic acid
CID 104842369
2-(5-bromo-2-chlorophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 113459743
2-(2-tert-butylphenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842363
2-(2,3-dichlorophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid
CID 104842536
4-ethyl-2-(3-ethyl-1-methylpyrazol-4-yl)-1,3-oxazole-5-carboxylic acid
CID 102811496

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-difluorophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(2,5-difluorophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid (CID 113459766) is 2-(2,5-difluorophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(2,5-difluorophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(2,5-difluorophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid is CCc1nc(-c2cc(F)ccc2F)oc1C(=O)O.
What is the InChIKey of 2-(2,5-difluorophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid?
The InChIKey is YCRFHZQLLBDQBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NO3/c1-2-9-10(12(16)17)18-11(15-9)7-5-6(13)3-4-8(7)14/h3-5H,2H2,1H3,(H,16,17).
What are the key properties of 2-(2,5-difluorophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid?
2-(2,5-difluorophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid has a molecular weight of 253.20 g/mol, XLogP of 2.88, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-difluorophenyl)-4-ethyl-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 113459766), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).