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

C10H8ClNO3 — CID 2962259

IUPAC3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)C1CC(c2ccccc2Cl)=NO1
InChIInChI=1S/C10H8ClNO3/c11-7-4-2-1-3-6(7)8-5-9(10(13)14)15-12-8/h1-4,9H,5H2,(H,13,14)
InChIKeyXBABASIBBODKAE-UHFFFAOYSA-N
MW225.63 g/mol
LogP1.92
Rot. Bonds2

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

3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid (PubChem CID 2962259) has the molecular formula C10H8ClNO3 and a molecular weight of 225.63 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
PubChem CID2962259
Molecular FormulaC10H8ClNO3
Molecular Weight225.63 g/mol
Exact Mass225.02
IUPAC Name3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)C1CC(c2ccccc2Cl)=NO1
InChIInChI=1S/C10H8ClNO3/c11-7-4-2-1-3-6(7)8-5-9(10(13)14)15-12-8/h1-4,9H,5H2,(H,13,14)
InChIKeyXBABASIBBODKAE-UHFFFAOYSA-N
XLogP1.92
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.63
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid (CID 2962259) is 3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid is O=C(O)C1CC(c2ccccc2Cl)=NO1.
What is the InChIKey of 3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
The InChIKey is XBABASIBBODKAE-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/h1-4,9H,5H2,(H,13,14).
What are the key properties of 3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid?
3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid has a molecular weight of 225.63 g/mol, XLogP of 1.92, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 2962259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).