2-[2-(4-chlorophenyl)ethylamino]-1,3-oxazole-4-carboxylic acid

C12H11ClN2O3 — CID 113377150

IUPAC2-[2-(4-chlorophenyl)ethylamino]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(NCCc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H11ClN2O3/c13-9-3-1-8(2-4-9)5-6-14-12-15-10(7-18-12)11(16)17/h1-4,7H,5-6H2,(H,14,15)(H,16,17)
InChIKeyMJFRXCKAMCJXCA-UHFFFAOYSA-N
MW266.68 g/mol
LogP2.68
Rot. Bonds5

About 2-[2-(4-chlorophenyl)ethylamino]-1,3-oxazole-4-carboxylic acid

2-[2-(4-chlorophenyl)ethylamino]-1,3-oxazole-4-carboxylic acid (PubChem CID 113377150) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is 2-[2-(4-chlorophenyl)ethylamino]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(4-chlorophenyl)ethylamino]-1,3-oxazole-4-carboxylic acid
PubChem CID113377150
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC Name2-[2-(4-chlorophenyl)ethylamino]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(NCCc2ccc(Cl)cc2)n1
InChIInChI=1S/C12H11ClN2O3/c13-9-3-1-8(2-4-9)5-6-14-12-15-10(7-18-12)11(16)17/h1-4,7H,5-6H2,(H,14,15)(H,16,17)
InChIKeyMJFRXCKAMCJXCA-UHFFFAOYSA-N
XLogP2.68
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-chlorophenyl)ethylamino]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[2-(4-chlorophenyl)ethylamino]-1,3-oxazole-4-carboxylic acid (CID 113377150) is 2-[2-(4-chlorophenyl)ethylamino]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-(4-chlorophenyl)ethylamino]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[2-(4-chlorophenyl)ethylamino]-1,3-oxazole-4-carboxylic acid is O=C(O)c1coc(NCCc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-[2-(4-chlorophenyl)ethylamino]-1,3-oxazole-4-carboxylic acid?
The InChIKey is MJFRXCKAMCJXCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c13-9-3-1-8(2-4-9)5-6-14-12-15-10(7-18-12)11(16)17/h1-4,7H,5-6H2,(H,14,15)(H,16,17).
What are the key properties of 2-[2-(4-chlorophenyl)ethylamino]-1,3-oxazole-4-carboxylic acid?
2-[2-(4-chlorophenyl)ethylamino]-1,3-oxazole-4-carboxylic acid has a molecular weight of 266.68 g/mol, XLogP of 2.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-chlorophenyl)ethylamino]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 113377150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).