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

C10H8ClNO3 — CID 84790462

IUPAC2-(3-chlorophenyl)-4,5-dihydro-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)C1CN=C(c2cccc(Cl)c2)O1
InChIInChI=1S/C10H8ClNO3/c11-7-3-1-2-6(4-7)9-12-5-8(15-9)10(13)14/h1-4,8H,5H2,(H,13,14)
InChIKeyQVHBHCJWWJRVTH-UHFFFAOYSA-N
MW225.63 g/mol
LogP1.57
Rot. Bonds2

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

2-(3-chlorophenyl)-4,5-dihydro-1,3-oxazole-5-carboxylic acid (PubChem CID 84790462) has the molecular formula C10H8ClNO3 and a molecular weight of 225.63 g/mol. Its IUPAC name is 2-(3-chlorophenyl)-4,5-dihydro-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-(3-chlorophenyl)-4,5-dihydro-1,3-oxazole-5-carboxylic acid
PubChem CID84790462
Molecular FormulaC10H8ClNO3
Molecular Weight225.63 g/mol
Exact Mass225.02
IUPAC Name2-(3-chlorophenyl)-4,5-dihydro-1,3-oxazole-5-carboxylic acid
SMILESO=C(O)C1CN=C(c2cccc(Cl)c2)O1
InChIInChI=1S/C10H8ClNO3/c11-7-3-1-2-6(4-7)9-12-5-8(15-9)10(13)14/h1-4,8H,5H2,(H,13,14)
InChIKeyQVHBHCJWWJRVTH-UHFFFAOYSA-N
XLogP1.57
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 ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-chlorophenyl)-4,5-dihydro-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-(3-chlorophenyl)-4,5-dihydro-1,3-oxazole-5-carboxylic acid (CID 84790462) is 2-(3-chlorophenyl)-4,5-dihydro-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-(3-chlorophenyl)-4,5-dihydro-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-(3-chlorophenyl)-4,5-dihydro-1,3-oxazole-5-carboxylic acid is O=C(O)C1CN=C(c2cccc(Cl)c2)O1.
What is the InChIKey of 2-(3-chlorophenyl)-4,5-dihydro-1,3-oxazole-5-carboxylic acid?
The InChIKey is QVHBHCJWWJRVTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClNO3/c11-7-3-1-2-6(4-7)9-12-5-8(15-9)10(13)14/h1-4,8H,5H2,(H,13,14).
What are the key properties of 2-(3-chlorophenyl)-4,5-dihydro-1,3-oxazole-5-carboxylic acid?
2-(3-chlorophenyl)-4,5-dihydro-1,3-oxazole-5-carboxylic acid has a molecular weight of 225.63 g/mol, XLogP of 1.57, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chlorophenyl)-4,5-dihydro-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 84790462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).