3-(2-chlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid

C10H8ClNO3 — CID 56993941

IUPAC3-(2-chlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)C1C=C(c2ccccc2Cl)NO1
InChIInChI=1S/C10H8ClNO3/c11-7-4-2-1-3-6(7)8-5-9(10(13)14)15-12-8/h1-5,9,12H,(H,13,14)
InChIKeyICPJLXDUCLUYKQ-UHFFFAOYSA-N
MW225.63 g/mol
LogP1.67
Rot. Bonds2

About 3-(2-chlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid

3-(2-chlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid (PubChem CID 56993941) has the molecular formula C10H8ClNO3 and a molecular weight of 225.63 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-chlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
PubChem CID56993941
Molecular FormulaC10H8ClNO3
Molecular Weight225.63 g/mol
Exact Mass225.02
IUPAC Name3-(2-chlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)C1C=C(c2ccccc2Cl)NO1
InChIInChI=1S/C10H8ClNO3/c11-7-4-2-1-3-6(7)8-5-9(10(13)14)15-12-8/h1-5,9,12H,(H,13,14)
InChIKeyICPJLXDUCLUYKQ-UHFFFAOYSA-N
XLogP1.67
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.63
LogP ≤ 51.67
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-(3-Chloro-4-fluorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 57022113
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-2-fluorophenyl)-2,5-dihydroisoxazole-5-carboxylic acid
CID 155895362
5-methyl-3-phenyl-2H-1,2-oxazole-5-carboxylic acid
CID 19976915
3-(3,5-Dichlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid
CID 56978868
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-(2-chlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(2-chlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid (CID 56993941) is 3-(2-chlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-chlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(2-chlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid is O=C(O)C1C=C(c2ccccc2Cl)NO1.
What is the InChIKey of 3-(2-chlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid?
The InChIKey is ICPJLXDUCLUYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO3/c11-7-4-2-1-3-6(7)8-5-9(10(13)14)15-12-8/h1-5,9,12H,(H,13,14).
What are the key properties of 3-(2-chlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid?
3-(2-chlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid has a molecular weight of 225.63 g/mol, XLogP of 1.67, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-2,5-dihydro-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 56993941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).