N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide

C13H15N3O4S — CID 706810

IUPACN-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C13H15N3O4S/c1-3-13(17)14-10-4-6-11(7-5-10)21(18,19)16-12-8-9(2)20-15-12/h4-8H,3H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyZEFAIIMWAHCEND-UHFFFAOYSA-N
MW309.35 g/mol
LogP2.13
Rot. Bonds5

About N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide

N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide (PubChem CID 706810) has the molecular formula C13H15N3O4S and a molecular weight of 309.35 g/mol. Its IUPAC name is N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide.

Molecular Properties

Compound NameN-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide
PubChem CID706810
Molecular FormulaC13H15N3O4S
Molecular Weight309.35 g/mol
Exact Mass309.08
IUPAC NameN-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide
SMILESCCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C13H15N3O4S/c1-3-13(17)14-10-4-6-11(7-5-10)21(18,19)16-12-8-9(2)20-15-12/h4-8H,3H2,1-2H3,(H,14,17)(H,15,16)
InChIKeyZEFAIIMWAHCEND-UHFFFAOYSA-N
XLogP2.13
TPSA101.30 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 ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide?
The IUPAC name of N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide (CID 706810) is N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide.
What is the SMILES notation for N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide?
The canonical SMILES for N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide is CCC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1.
What is the InChIKey of N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide?
The InChIKey is ZEFAIIMWAHCEND-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O4S/c1-3-13(17)14-10-4-6-11(7-5-10)21(18,19)16-12-8-9(2)20-15-12/h4-8H,3H2,1-2H3,(H,14,17)(H,15,16).
What are the key properties of N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide?
N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide has a molecular weight of 309.35 g/mol, XLogP of 2.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]propanamide is sourced from PubChem (CID 706810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).