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

C10H6ClNO3 — CID 2739756

IUPAC5-(2-chlorophenyl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1ncoc1-c1ccccc1Cl
InChIInChI=1S/C10H6ClNO3/c11-7-4-2-1-3-6(7)9-8(10(13)14)12-5-15-9/h1-5H,(H,13,14)
InChIKeyIGBCIBWBDFNAQC-UHFFFAOYSA-N
MW223.62 g/mol
LogP2.69
Rot. Bonds2

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

5-(2-chlorophenyl)-1,3-oxazole-4-carboxylic acid (PubChem CID 2739756) has the molecular formula C10H6ClNO3 and a molecular weight of 223.62 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-chlorophenyl)-1,3-oxazole-4-carboxylic acid
PubChem CID2739756
Molecular FormulaC10H6ClNO3
Molecular Weight223.62 g/mol
Exact Mass223.00
IUPAC Name5-(2-chlorophenyl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1ncoc1-c1ccccc1Cl
InChIInChI=1S/C10H6ClNO3/c11-7-4-2-1-3-6(7)9-8(10(13)14)12-5-15-9/h1-5H,(H,13,14)
InChIKeyIGBCIBWBDFNAQC-UHFFFAOYSA-N
XLogP2.69
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.62
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-(2-chlorophenyl)-1,3-oxazole-4-carboxylic acid (CID 2739756) is 5-(2-chlorophenyl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(2-chlorophenyl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(2-chlorophenyl)-1,3-oxazole-4-carboxylic acid is O=C(O)c1ncoc1-c1ccccc1Cl.
What is the InChIKey of 5-(2-chlorophenyl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is IGBCIBWBDFNAQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO3/c11-7-4-2-1-3-6(7)9-8(10(13)14)12-5-15-9/h1-5H,(H,13,14).
What are the key properties of 5-(2-chlorophenyl)-1,3-oxazole-4-carboxylic acid?
5-(2-chlorophenyl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 223.62 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 2739756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).