2-(2-chloro-6-fluorophenyl)-1,3-oxazole-4,5-dicarboxylic acid

C11H5ClFNO5 — CID 102953761

IUPAC2-(2-chloro-6-fluorophenyl)-1,3-oxazole-4,5-dicarboxylic acid
SMILESO=C(O)c1nc(-c2c(F)cccc2Cl)oc1C(=O)O
InChIInChI=1S/C11H5ClFNO5/c12-4-2-1-3-5(13)6(4)9-14-7(10(15)16)8(19-9)11(17)18/h1-3H,(H,15,16)(H,17,18)
InChIKeyCJFPETGOQHLFPK-UHFFFAOYSA-N
MW285.61 g/mol
LogP2.53
Rot. Bonds3

About 2-(2-chloro-6-fluorophenyl)-1,3-oxazole-4,5-dicarboxylic acid

2-(2-chloro-6-fluorophenyl)-1,3-oxazole-4,5-dicarboxylic acid (PubChem CID 102953761) has the molecular formula C11H5ClFNO5 and a molecular weight of 285.61 g/mol. Its IUPAC name is 2-(2-chloro-6-fluorophenyl)-1,3-oxazole-4,5-dicarboxylic acid.

Molecular Properties

Compound Name2-(2-chloro-6-fluorophenyl)-1,3-oxazole-4,5-dicarboxylic acid
PubChem CID102953761
Molecular FormulaC11H5ClFNO5
Molecular Weight285.61 g/mol
Exact Mass284.98
IUPAC Name2-(2-chloro-6-fluorophenyl)-1,3-oxazole-4,5-dicarboxylic acid
SMILESO=C(O)c1nc(-c2c(F)cccc2Cl)oc1C(=O)O
InChIInChI=1S/C11H5ClFNO5/c12-4-2-1-3-5(13)6(4)9-14-7(10(15)16)8(19-9)11(17)18/h1-3H,(H,15,16)(H,17,18)
InChIKeyCJFPETGOQHLFPK-UHFFFAOYSA-N
XLogP2.53
TPSA100.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.61
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,6-dichlorophenyl)-4-(difluoromethyl)-1,3-oxazole-5-carboxylic acid
CID 103198901
4-tert-butyl-2-(2,6-dichlorophenyl)-1,3-oxazole-5-carboxylic acid
CID 114372736
2-(2-bromo-6-fluorophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 114560903
2-(3-chlorothiophen-2-yl)-1,3-oxazole-4,5-dicarboxylic acid
CID 102953780
dimethyl 2-(2,6-difluorophenyl)-1,3-oxazole-4,5-dicarboxylate
CID 102953652
2-(2,6-dichlorophenyl)-4-(methoxymethyl)-1,3-oxazole-5-carboxylic acid
CID 114373828
2-(2-chloro-6-fluorophenyl)-5-(4-piperidin-1-ylanilino)-1,3-oxazole-4-carboxamide
CID 147644204
6-chloro-2-(2-chloro-6-fluorophenyl)pyrimidine-4-carboxylic acid
CID 82168774
4-ethyl-2-(2-fluoro-6-methoxyphenyl)-1,3-oxazole-5-carboxylic acid
CID 104842369
2-(3-fluoro-4-methoxyphenyl)-1,3-oxazole-4,5-dicarboxylic acid
CID 102953955
2-(3,5-dimethylphenyl)-1,3-oxazole-4,5-dicarboxylic acid
CID 102953844
2-(2,6-difluorophenyl)-1,3-benzoxazole-4-carboxylic acid
CID 10869520

Frequently Asked Questions

What is the IUPAC name of 2-(2-chloro-6-fluorophenyl)-1,3-oxazole-4,5-dicarboxylic acid?
The IUPAC name of 2-(2-chloro-6-fluorophenyl)-1,3-oxazole-4,5-dicarboxylic acid (CID 102953761) is 2-(2-chloro-6-fluorophenyl)-1,3-oxazole-4,5-dicarboxylic acid.
What is the SMILES notation for 2-(2-chloro-6-fluorophenyl)-1,3-oxazole-4,5-dicarboxylic acid?
The canonical SMILES for 2-(2-chloro-6-fluorophenyl)-1,3-oxazole-4,5-dicarboxylic acid is O=C(O)c1nc(-c2c(F)cccc2Cl)oc1C(=O)O.
What is the InChIKey of 2-(2-chloro-6-fluorophenyl)-1,3-oxazole-4,5-dicarboxylic acid?
The InChIKey is CJFPETGOQHLFPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClFNO5/c12-4-2-1-3-5(13)6(4)9-14-7(10(15)16)8(19-9)11(17)18/h1-3H,(H,15,16)(H,17,18).
What are the key properties of 2-(2-chloro-6-fluorophenyl)-1,3-oxazole-4,5-dicarboxylic acid?
2-(2-chloro-6-fluorophenyl)-1,3-oxazole-4,5-dicarboxylic acid has a molecular weight of 285.61 g/mol, XLogP of 2.53, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chloro-6-fluorophenyl)-1,3-oxazole-4,5-dicarboxylic acid is sourced from PubChem (CID 102953761), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).