2-(2-chloro-4-fluorophenyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid

C12H9ClFNO4 — CID 62887458

IUPAC2-(2-chloro-4-fluorophenyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid
SMILESCCOc1oc(-c2ccc(F)cc2Cl)nc1C(=O)O
InChIInChI=1S/C12H9ClFNO4/c1-2-18-12-9(11(16)17)15-10(19-12)7-4-3-6(14)5-8(7)13/h3-5H,2H2,1H3,(H,16,17)
InChIKeyPSVAUSSYGVKSJJ-UHFFFAOYSA-N
MW285.66 g/mol
LogP3.23
Rot. Bonds4

About 2-(2-chloro-4-fluorophenyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid

2-(2-chloro-4-fluorophenyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid (PubChem CID 62887458) has the molecular formula C12H9ClFNO4 and a molecular weight of 285.66 g/mol. Its IUPAC name is 2-(2-chloro-4-fluorophenyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(2-chloro-4-fluorophenyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid
PubChem CID62887458
Molecular FormulaC12H9ClFNO4
Molecular Weight285.66 g/mol
Exact Mass285.02
IUPAC Name2-(2-chloro-4-fluorophenyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid
SMILESCCOc1oc(-c2ccc(F)cc2Cl)nc1C(=O)O
InChIInChI=1S/C12H9ClFNO4/c1-2-18-12-9(11(16)17)15-10(19-12)7-4-3-6(14)5-8(7)13/h3-5H,2H2,1H3,(H,16,17)
InChIKeyPSVAUSSYGVKSJJ-UHFFFAOYSA-N
XLogP3.23
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.66
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,4-dibromophenyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid
CID 114018633
5-ethoxy-2-(3,4,5-trifluorophenyl)-1,3-oxazole-4-carboxylic acid
CID 63190215
5-ethoxy-2-naphthalen-1-yl-1,3-oxazole-4-carboxylic acid
CID 62885349
2-(3,5-dimethylphenyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid
CID 62885181
ethyl 5-(2-chloro-4-fluorophenyl)-1,3,4-oxadiazole-2-carboxylate
CID 112685436
ethyl 2-(2-chloro-4-fluorophenyl)-4-propan-2-yl-1,3-oxazole-5-carboxylate
CID 114371412
ethyl 5-ethoxy-2-(4-fluorophenyl)-1,3-oxazole-4-carboxylate
CID 42883064
2-(2-chloro-4-fluorophenyl)-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 103199380
ethyl 2-(2-chloro-4-fluorophenyl)-4-cyclopropyl-1,3-oxazole-5-carboxylate
CID 114372095
2-(2,5-dimethylpyrazol-3-yl)-5-ethoxy-1,3-oxazole-4-carboxylic acid
CID 66128860
5-ethoxy-2-(4-methylsulfonylphenyl)-1,3-oxazole-4-carboxylic acid
CID 62884828
5-ethoxy-2-(5-methyl-1-benzofuran-2-yl)-1,3-oxazole-4-carboxylic acid
CID 62886755

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-4-fluorophenyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(2-chloro-4-fluorophenyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid (CID 62887458) is 2-(2-chloro-4-fluorophenyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(2-chloro-4-fluorophenyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(2-chloro-4-fluorophenyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid is CCOc1oc(-c2ccc(F)cc2Cl)nc1C(=O)O.
What is the InChIKey of 2-(2-chloro-4-fluorophenyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid?
The InChIKey is PSVAUSSYGVKSJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClFNO4/c1-2-18-12-9(11(16)17)15-10(19-12)7-4-3-6(14)5-8(7)13/h3-5H,2H2,1H3,(H,16,17).
What are the key properties of 2-(2-chloro-4-fluorophenyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid?
2-(2-chloro-4-fluorophenyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid has a molecular weight of 285.66 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-4-fluorophenyl)-5-ethoxy-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 62887458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).