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

C17H22N4O4S — CID 1093288

IUPAC1-cyclohexyl-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]urea
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)NC3CCCCC3)cc2)no1
InChIInChI=1S/C17H22N4O4S/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/h7-11,13H,2-6H2,1H3,(H,20,21)(H2,18,19,22)
InChIKeyQAEQJUSQLPWAFM-UHFFFAOYSA-N
MW378.45 g/mol
LogP3.24
Rot. Bonds5

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

1-cyclohexyl-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]urea (PubChem CID 1093288) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is 1-cyclohexyl-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]urea.

Molecular Properties

Compound Name1-cyclohexyl-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]urea
PubChem CID1093288
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC Name1-cyclohexyl-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]urea
SMILESCc1cc(NS(=O)(=O)c2ccc(NC(=O)NC3CCCCC3)cc2)no1
InChIInChI=1S/C17H22N4O4S/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/h7-11,13H,2-6H2,1H3,(H,20,21)(H2,18,19,22)
InChIKeyQAEQJUSQLPWAFM-UHFFFAOYSA-N
XLogP3.24
TPSA113.33 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 53.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]urea?
The IUPAC name of 1-cyclohexyl-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]urea (CID 1093288) is 1-cyclohexyl-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]urea.
What is the SMILES notation for 1-cyclohexyl-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]urea?
The canonical SMILES for 1-cyclohexyl-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]urea is Cc1cc(NS(=O)(=O)c2ccc(NC(=O)NC3CCCCC3)cc2)no1.
What is the InChIKey of 1-cyclohexyl-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]urea?
The InChIKey is QAEQJUSQLPWAFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O4S/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/h7-11,13H,2-6H2,1H3,(H,20,21)(H2,18,19,22).
What are the key properties of 1-cyclohexyl-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]urea?
1-cyclohexyl-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]urea has a molecular weight of 378.45 g/mol, XLogP of 3.24, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-3-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]urea is sourced from PubChem (CID 1093288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).