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

C15H16N2O5S — CID 11958498

IUPAC5-(2-methoxyethylcarbamoyl)-3-(phenylsulfanylmethyl)-1,2-oxazole-4-carboxylic acid
SMILESCOCCNC(=O)c1onc(CSc2ccccc2)c1C(=O)O
InChIInChI=1S/C15H16N2O5S/c1-21-8-7-16-14(18)13-12(15(19)20)11(17-22-13)9-23-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,16,18)(H,19,20)
InChIKeyPFRFPSCTHQTFKY-UHFFFAOYSA-N
MW336.37 g/mol
LogP2.04
Rot. Bonds8

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

5-(2-methoxyethylcarbamoyl)-3-(phenylsulfanylmethyl)-1,2-oxazole-4-carboxylic acid (PubChem CID 11958498) has the molecular formula C15H16N2O5S and a molecular weight of 336.37 g/mol. Its IUPAC name is 5-(2-methoxyethylcarbamoyl)-3-(phenylsulfanylmethyl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-methoxyethylcarbamoyl)-3-(phenylsulfanylmethyl)-1,2-oxazole-4-carboxylic acid
PubChem CID11958498
Molecular FormulaC15H16N2O5S
Molecular Weight336.37 g/mol
Exact Mass336.08
IUPAC Name5-(2-methoxyethylcarbamoyl)-3-(phenylsulfanylmethyl)-1,2-oxazole-4-carboxylic acid
SMILESCOCCNC(=O)c1onc(CSc2ccccc2)c1C(=O)O
InChIInChI=1S/C15H16N2O5S/c1-21-8-7-16-14(18)13-12(15(19)20)11(17-22-13)9-23-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,16,18)(H,19,20)
InChIKeyPFRFPSCTHQTFKY-UHFFFAOYSA-N
XLogP2.04
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 52.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(2-methoxyethylcarbamoyl)-3-(phenylsulfanylmethyl)-1,2-oxazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethylcarbamoyl)-3-(phenylsulfanylmethyl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-(2-methoxyethylcarbamoyl)-3-(phenylsulfanylmethyl)-1,2-oxazole-4-carboxylic acid (CID 11958498) is 5-(2-methoxyethylcarbamoyl)-3-(phenylsulfanylmethyl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(2-methoxyethylcarbamoyl)-3-(phenylsulfanylmethyl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(2-methoxyethylcarbamoyl)-3-(phenylsulfanylmethyl)-1,2-oxazole-4-carboxylic acid is COCCNC(=O)c1onc(CSc2ccccc2)c1C(=O)O.
What is the InChIKey of 5-(2-methoxyethylcarbamoyl)-3-(phenylsulfanylmethyl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is PFRFPSCTHQTFKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O5S/c1-21-8-7-16-14(18)13-12(15(19)20)11(17-22-13)9-23-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3,(H,16,18)(H,19,20).
What are the key properties of 5-(2-methoxyethylcarbamoyl)-3-(phenylsulfanylmethyl)-1,2-oxazole-4-carboxylic acid?
5-(2-methoxyethylcarbamoyl)-3-(phenylsulfanylmethyl)-1,2-oxazole-4-carboxylic acid has a molecular weight of 336.37 g/mol, XLogP of 2.04, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethylcarbamoyl)-3-(phenylsulfanylmethyl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 11958498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).