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

C15H20N4O4S — CID 2808946

IUPAC1-butyl-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]urea
SMILESCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C15H20N4O4S/c1-3-4-9-16-15(20)17-12-5-7-13(8-6-12)24(21,22)19-14-10-11(2)23-18-14/h5-8,10H,3-4,9H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyYQVISLXZBTVKNJ-UHFFFAOYSA-N
MW352.42 g/mol
LogP2.71
Rot. Bonds7

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

1-butyl-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]urea (PubChem CID 2808946) has the molecular formula C15H20N4O4S and a molecular weight of 352.42 g/mol. Its IUPAC name is 1-butyl-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]urea.

Molecular Properties

Compound Name1-butyl-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]urea
PubChem CID2808946
Molecular FormulaC15H20N4O4S
Molecular Weight352.42 g/mol
Exact Mass352.12
IUPAC Name1-butyl-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]urea
SMILESCCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C15H20N4O4S/c1-3-4-9-16-15(20)17-12-5-7-13(8-6-12)24(21,22)19-14-10-11(2)23-18-14/h5-8,10H,3-4,9H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyYQVISLXZBTVKNJ-UHFFFAOYSA-N
XLogP2.71
TPSA113.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 52.71
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]urea?
The IUPAC name of 1-butyl-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]urea (CID 2808946) is 1-butyl-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]urea.
What is the SMILES notation for 1-butyl-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]urea?
The canonical SMILES for 1-butyl-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]urea is CCCCNC(=O)Nc1ccc(S(=O)(=O)Nc2cc(C)on2)cc1.
What is the InChIKey of 1-butyl-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]urea?
The InChIKey is YQVISLXZBTVKNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4S/c1-3-4-9-16-15(20)17-12-5-7-13(8-6-12)24(21,22)19-14-10-11(2)23-18-14/h5-8,10H,3-4,9H2,1-2H3,(H,18,19)(H2,16,17,20).
What are the key properties of 1-butyl-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]urea?
1-butyl-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]urea has a molecular weight of 352.42 g/mol, XLogP of 2.71, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]urea is sourced from PubChem (CID 2808946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).