N-[(3-propyl-1,2-oxazol-5-yl)methyl]-4-sulfamoylbutanamide

C11H19N3O4S — CID 131918423

IUPACN-[(3-propyl-1,2-oxazol-5-yl)methyl]-4-sulfamoylbutanamide
SMILESCCCc1cc(CNC(=O)CCCS(N)(=O)=O)on1
InChIInChI=1S/C11H19N3O4S/c1-2-4-9-7-10(18-14-9)8-13-11(15)5-3-6-19(12,16)17/h7H,2-6,8H2,1H3,(H,13,15)(H2,12,16,17)
InChIKeyUHRRPZRYSLZEPV-UHFFFAOYSA-N
MW289.36 g/mol
LogP0.31
Rot. Bonds8

About N-[(3-propyl-1,2-oxazol-5-yl)methyl]-4-sulfamoylbutanamide

N-[(3-propyl-1,2-oxazol-5-yl)methyl]-4-sulfamoylbutanamide (PubChem CID 131918423) has the molecular formula C11H19N3O4S and a molecular weight of 289.36 g/mol. Its IUPAC name is N-[(3-propyl-1,2-oxazol-5-yl)methyl]-4-sulfamoylbutanamide.

Molecular Properties

Compound NameN-[(3-propyl-1,2-oxazol-5-yl)methyl]-4-sulfamoylbutanamide
PubChem CID131918423
Molecular FormulaC11H19N3O4S
Molecular Weight289.36 g/mol
Exact Mass289.11
IUPAC NameN-[(3-propyl-1,2-oxazol-5-yl)methyl]-4-sulfamoylbutanamide
SMILESCCCc1cc(CNC(=O)CCCS(N)(=O)=O)on1
InChIInChI=1S/C11H19N3O4S/c1-2-4-9-7-10(18-14-9)8-13-11(15)5-3-6-19(12,16)17/h7H,2-6,8H2,1H3,(H,13,15)(H2,12,16,17)
InChIKeyUHRRPZRYSLZEPV-UHFFFAOYSA-N
XLogP0.31
TPSA115.29 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(3-propyl-1,2-oxazol-5-yl)methyl]-4-sulfamoylbutanamide?
The IUPAC name of N-[(3-propyl-1,2-oxazol-5-yl)methyl]-4-sulfamoylbutanamide (CID 131918423) is N-[(3-propyl-1,2-oxazol-5-yl)methyl]-4-sulfamoylbutanamide.
What is the SMILES notation for N-[(3-propyl-1,2-oxazol-5-yl)methyl]-4-sulfamoylbutanamide?
The canonical SMILES for N-[(3-propyl-1,2-oxazol-5-yl)methyl]-4-sulfamoylbutanamide is CCCc1cc(CNC(=O)CCCS(N)(=O)=O)on1.
What is the InChIKey of N-[(3-propyl-1,2-oxazol-5-yl)methyl]-4-sulfamoylbutanamide?
The InChIKey is UHRRPZRYSLZEPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O4S/c1-2-4-9-7-10(18-14-9)8-13-11(15)5-3-6-19(12,16)17/h7H,2-6,8H2,1H3,(H,13,15)(H2,12,16,17).
What are the key properties of N-[(3-propyl-1,2-oxazol-5-yl)methyl]-4-sulfamoylbutanamide?
N-[(3-propyl-1,2-oxazol-5-yl)methyl]-4-sulfamoylbutanamide has a molecular weight of 289.36 g/mol, XLogP of 0.31, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-propyl-1,2-oxazol-5-yl)methyl]-4-sulfamoylbutanamide is sourced from PubChem (CID 131918423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).