5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-3-carboxamide

C13H15N3O4S — CID 827440

IUPAC5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)no1
InChIInChI=1S/C13H15N3O4S/c1-9-8-12(16-20-9)13(17)15-7-6-10-2-4-11(5-3-10)21(14,18)19/h2-5,8H,6-7H2,1H3,(H,15,17)(H2,14,18,19)
InChIKeyKFGWNIGZMCIXJX-UHFFFAOYSA-N
MW309.35 g/mol
LogP0.60
Rot. Bonds5

About 5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-3-carboxamide

5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 827440) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is 5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID827440
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC Name5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)no1
InChIInChI=1S/C13H15N3O4S/c1-9-8-12(16-20-9)13(17)15-7-6-10-2-4-11(5-3-10)21(14,18)19/h2-5,8H,6-7H2,1H3,(H,15,17)(H2,14,18,19)
InChIKeyKFGWNIGZMCIXJX-UHFFFAOYSA-N
XLogP0.60
TPSA115.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 50.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-3-carboxamide (CID 827440) is 5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)no1.
What is the InChIKey of 5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is KFGWNIGZMCIXJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-9-8-12(16-20-9)13(17)15-7-6-10-2-4-11(5-3-10)21(14,18)19/h2-5,8H,6-7H2,1H3,(H,15,17)(H2,14,18,19).
What are the key properties of 5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-3-carboxamide?
5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 309.35 g/mol, XLogP of 0.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-N-[2-(4-sulfamoylphenyl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 827440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).