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

C17H16N4O4S — CID 1011844

IUPAC1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-phenylurea
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)no1
InChIInChI=1S/C17H16N4O4S/c1-12-11-16(20-25-12)21-26(23,24)15-9-7-14(8-10-15)19-17(22)18-13-5-3-2-4-6-13/h2-11H,1H3,(H,20,21)(H2,18,19,22)
InChIKeyNOJIPPLRSMFLJG-UHFFFAOYSA-N
MW372.41 g/mol
LogP3.43
Rot. Bonds5

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

1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-phenylurea (PubChem CID 1011844) has the molecular formula C17H16N4O4S and a molecular weight of 372.41 g/mol. Its IUPAC name is 1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-phenylurea
PubChem CID1011844
Molecular FormulaC17H16N4O4S
Molecular Weight372.41 g/mol
Exact Mass372.09
IUPAC Name1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-phenylurea
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)no1
InChIInChI=1S/C17H16N4O4S/c1-12-11-16(20-25-12)21-26(23,24)15-9-7-14(8-10-15)19-17(22)18-13-5-3-2-4-6-13/h2-11H,1H3,(H,20,21)(H2,18,19,22)
InChIKeyNOJIPPLRSMFLJG-UHFFFAOYSA-N
XLogP3.43
TPSA113.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.41
LogP ≤ 53.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-phenylurea?
The IUPAC name of 1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-phenylurea (CID 1011844) is 1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-phenylurea?
The canonical SMILES for 1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-phenylurea is Cc1cc(NS(=O)(=O)c2ccc(NC(=O)Nc3ccccc3)cc2)no1.
What is the InChIKey of 1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-phenylurea?
The InChIKey is NOJIPPLRSMFLJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O4S/c1-12-11-16(20-25-12)21-26(23,24)15-9-7-14(8-10-15)19-17(22)18-13-5-3-2-4-6-13/h2-11H,1H3,(H,20,21)(H2,18,19,22).
What are the key properties of 1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-phenylurea?
1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-phenylurea has a molecular weight of 372.41 g/mol, XLogP of 3.43, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]-3-phenylurea is sourced from PubChem (CID 1011844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).