2-methyl-N-(2-oxochromen-6-yl)-5-phenyl-1,3-oxazole-4-sulfonamide

C19H14N2O5S — CID 166397243

IUPAC2-methyl-N-(2-oxochromen-6-yl)-5-phenyl-1,3-oxazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)Nc2ccc3oc(=O)ccc3c2)c(-c2ccccc2)o1
InChIInChI=1S/C19H14N2O5S/c1-12-20-19(18(25-12)13-5-3-2-4-6-13)27(23,24)21-15-8-9-16-14(11-15)7-10-17(22)26-16/h2-11,21H,1H3
InChIKeyVYYPWNBXETXYFH-UHFFFAOYSA-N
MW382.40 g/mol
LogP3.56
Rot. Bonds4

About 2-methyl-N-(2-oxochromen-6-yl)-5-phenyl-1,3-oxazole-4-sulfonamide

2-methyl-N-(2-oxochromen-6-yl)-5-phenyl-1,3-oxazole-4-sulfonamide (PubChem CID 166397243) has the molecular formula C19H14N2O5S and a molecular weight of 382.40 g/mol. Its IUPAC name is 2-methyl-N-(2-oxochromen-6-yl)-5-phenyl-1,3-oxazole-4-sulfonamide.

Molecular Properties

Compound Name2-methyl-N-(2-oxochromen-6-yl)-5-phenyl-1,3-oxazole-4-sulfonamide
PubChem CID166397243
Molecular FormulaC19H14N2O5S
Molecular Weight382.40 g/mol
Exact Mass382.06
IUPAC Name2-methyl-N-(2-oxochromen-6-yl)-5-phenyl-1,3-oxazole-4-sulfonamide
SMILESCc1nc(S(=O)(=O)Nc2ccc3oc(=O)ccc3c2)c(-c2ccccc2)o1
InChIInChI=1S/C19H14N2O5S/c1-12-20-19(18(25-12)13-5-3-2-4-6-13)27(23,24)21-15-8-9-16-14(11-15)7-10-17(22)26-16/h2-11,21H,1H3
InChIKeyVYYPWNBXETXYFH-UHFFFAOYSA-N
XLogP3.56
TPSA102.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.40
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-methyl-N-(2-oxochromen-6-yl)-5-phenyl-1,3-oxazole-4-sulfonamide 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 2-methyl-N-(2-oxochromen-6-yl)-5-phenyl-1,3-oxazole-4-sulfonamide?
The IUPAC name of 2-methyl-N-(2-oxochromen-6-yl)-5-phenyl-1,3-oxazole-4-sulfonamide (CID 166397243) is 2-methyl-N-(2-oxochromen-6-yl)-5-phenyl-1,3-oxazole-4-sulfonamide.
What is the SMILES notation for 2-methyl-N-(2-oxochromen-6-yl)-5-phenyl-1,3-oxazole-4-sulfonamide?
The canonical SMILES for 2-methyl-N-(2-oxochromen-6-yl)-5-phenyl-1,3-oxazole-4-sulfonamide is Cc1nc(S(=O)(=O)Nc2ccc3oc(=O)ccc3c2)c(-c2ccccc2)o1.
What is the InChIKey of 2-methyl-N-(2-oxochromen-6-yl)-5-phenyl-1,3-oxazole-4-sulfonamide?
The InChIKey is VYYPWNBXETXYFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O5S/c1-12-20-19(18(25-12)13-5-3-2-4-6-13)27(23,24)21-15-8-9-16-14(11-15)7-10-17(22)26-16/h2-11,21H,1H3.
What are the key properties of 2-methyl-N-(2-oxochromen-6-yl)-5-phenyl-1,3-oxazole-4-sulfonamide?
2-methyl-N-(2-oxochromen-6-yl)-5-phenyl-1,3-oxazole-4-sulfonamide has a molecular weight of 382.40 g/mol, XLogP of 3.56, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-(2-oxochromen-6-yl)-5-phenyl-1,3-oxazole-4-sulfonamide is sourced from PubChem (CID 166397243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).