3-[(2-chloro-5-fluorophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid

C11H6ClFN2O4 — CID 107530858

IUPAC3-[(2-chloro-5-fluorophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESO=C(Nc1cc(F)ccc1Cl)c1cc(C(=O)O)on1
InChIInChI=1S/C11H6ClFN2O4/c12-6-2-1-5(13)3-7(6)14-10(16)8-4-9(11(17)18)19-15-8/h1-4H,(H,14,16)(H,17,18)
InChIKeyUSGRHRPBXXOUCJ-UHFFFAOYSA-N
MW284.63 g/mol
LogP2.42
Rot. Bonds3

About 3-[(2-chloro-5-fluorophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid

3-[(2-chloro-5-fluorophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 107530858) has the molecular formula C11H6ClFN2O4 and a molecular weight of 284.63 g/mol. Its IUPAC name is 3-[(2-chloro-5-fluorophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-[(2-chloro-5-fluorophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
PubChem CID107530858
Molecular FormulaC11H6ClFN2O4
Molecular Weight284.63 g/mol
Exact Mass284.00
IUPAC Name3-[(2-chloro-5-fluorophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
SMILESO=C(Nc1cc(F)ccc1Cl)c1cc(C(=O)O)on1
InChIInChI=1S/C11H6ClFN2O4/c12-6-2-1-5(13)3-7(6)14-10(16)8-4-9(11(17)18)19-15-8/h1-4H,(H,14,16)(H,17,18)
InChIKeyUSGRHRPBXXOUCJ-UHFFFAOYSA-N
XLogP2.42
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.63
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(2,4-dibromophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369359
3-[(2-fluoro-5-nitrophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369206
N-(2-chloro-5-fluorophenyl)acetamide
CID 102458235
N-(2-chloro-5-fluorophenyl)-3-(4-fluorophenyl)-1H-pyrazole-5-carboxamide
CID 45030505
3-[(2,3-dimethylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369167
N-(2-chloro-5-fluorophenyl)-2,2,2-trifluoroacetamide
CID 103646595
3-[(3-chloro-4-fluorophenyl)methylcarbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369569
2-chloro-N-(2-chloro-5-fluorophenyl)-5-hydroxybenzamide
CID 107528809
3-[(4-acetamidophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369010
3-[(4-ethylphenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369156
3-[(2-cyanophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid
CID 107369142
N-(2-chloro-5-fluorophenyl)-2-fluorobenzamide
CID 113231148

Frequently Asked Questions

What is the IUPAC name of 3-[(2-chloro-5-fluorophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-[(2-chloro-5-fluorophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid (CID 107530858) is 3-[(2-chloro-5-fluorophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-[(2-chloro-5-fluorophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-[(2-chloro-5-fluorophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid is O=C(Nc1cc(F)ccc1Cl)c1cc(C(=O)O)on1.
What is the InChIKey of 3-[(2-chloro-5-fluorophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is USGRHRPBXXOUCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClFN2O4/c12-6-2-1-5(13)3-7(6)14-10(16)8-4-9(11(17)18)19-15-8/h1-4H,(H,14,16)(H,17,18).
What are the key properties of 3-[(2-chloro-5-fluorophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid?
3-[(2-chloro-5-fluorophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 284.63 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-chloro-5-fluorophenyl)carbamoyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 107530858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).