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

C10H7ClFNO3 — CID 57022113

IUPAC3-(3-chloro-4-fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)C1C=C(c2ccc(F)c(Cl)c2)NO1
InChIInChI=1S/C10H7ClFNO3/c11-6-3-5(1-2-7(6)12)8-4-9(10(14)15)16-13-8/h1-4,9,13H,(H,14,15)
InChIKeyWFUAWLMMADUSRC-UHFFFAOYSA-N
MW243.62 g/mol
LogP1.81
Rot. Bonds2

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

3-(3-chloro-4-fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid (PubChem CID 57022113) has the molecular formula C10H7ClFNO3 and a molecular weight of 243.62 g/mol. Its IUPAC name is 3-(3-chloro-4-fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(3-chloro-4-fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
PubChem CID57022113
Molecular FormulaC10H7ClFNO3
Molecular Weight243.62 g/mol
Exact Mass243.01
IUPAC Name3-(3-chloro-4-fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)C1C=C(c2ccc(F)c(Cl)c2)NO1
InChIInChI=1S/C10H7ClFNO3/c11-6-3-5(1-2-7(6)12)8-4-9(10(14)15)16-13-8/h1-4,9,13H,(H,14,15)
InChIKeyWFUAWLMMADUSRC-UHFFFAOYSA-N
XLogP1.81
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.62
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-Fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 56980972
3-(4-Fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57054153
3-(3-Fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57260376
3-(3-chloro-4-fluorophenyl)-2H-1,2-oxazol-5-one
CID 130170904
3-(3-Chloro-2-fluorophenyl)-2,5-dihydroisoxazole-5-carboxylic acid
CID 155895362
3-(3,5-Dichlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 56978868
3-(2-Chlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 56993941
Methyl 3-(4-chlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylate
CID 57004507
3-(2,3-Dichlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57022269
3-Phenyl-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57036549
Propan-2-yl 3-(4-chlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylate
CID 57042460
3-(3-Chlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57049497

Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-4-fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(3-chloro-4-fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid (CID 57022113) is 3-(3-chloro-4-fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(3-chloro-4-fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(3-chloro-4-fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid is O=C(O)C1C=C(c2ccc(F)c(Cl)c2)NO1.
What is the InChIKey of 3-(3-chloro-4-fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid?
The InChIKey is WFUAWLMMADUSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7ClFNO3/c11-6-3-5(1-2-7(6)12)8-4-9(10(14)15)16-13-8/h1-4,9,13H,(H,14,15).
What are the key properties of 3-(3-chloro-4-fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid?
3-(3-chloro-4-fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid has a molecular weight of 243.62 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-4-fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 57022113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).