1-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfonylurea

C12H13N3O4S — CID 2740796

IUPAC1-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C12H13N3O4S/c1-8-3-5-10(6-4-8)20(17,18)15-12(16)13-11-7-9(2)19-14-11/h3-7H,1-2H3,(H2,13,14,15,16)
InChIKeyQPOIZWPVJOWFSB-UHFFFAOYSA-N
MW295.32 g/mol
LogP1.80
Rot. Bonds3

About 1-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfonylurea

1-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfonylurea (PubChem CID 2740796) has the molecular formula C12H13N3O4S and a molecular weight of 295.32 g/mol. Its IUPAC name is 1-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfonylurea.

Molecular Properties

Compound Name1-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfonylurea
PubChem CID2740796
Molecular FormulaC12H13N3O4S
Molecular Weight295.32 g/mol
Exact Mass295.06
IUPAC Name1-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfonylurea
SMILESCc1ccc(S(=O)(=O)NC(=O)Nc2cc(C)on2)cc1
InChIInChI=1S/C12H13N3O4S/c1-8-3-5-10(6-4-8)20(17,18)15-12(16)13-11-7-9(2)19-14-11/h3-7H,1-2H3,(H2,13,14,15,16)
InChIKeyQPOIZWPVJOWFSB-UHFFFAOYSA-N
XLogP1.80
TPSA101.30 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-(5-methyl-1,2-oxazol-3-yl)-3-[(4-methylphenyl)methyl]urea
CID 47125787
2-[(4-chlorophenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110370274
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(4-methylphenyl)sulfonylpropanamide
CID 110619289
1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]-3-(4-methylphenyl)sulfonylurea
CID 110643598
1-[2-methyl-4-[3-methyl-4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]phenyl]-3-(4-methylphenyl)sulfonylurea
CID 4151875
1-(2-hydroxy-4-methylphenyl)-3-(5-methyl-1,2-oxazol-3-yl)urea
CID 108812172
1-[2-methoxy-4-[3-methoxy-4-[(4-methylphenyl)sulfonylcarbamoylamino]phenyl]phenyl]-3-(4-methylphenyl)sulfonylurea
CID 19966637
1-(4-chlorophenyl)-3-(4-methylphenyl)sulfonyl(11C)urea
CID 53343755
3,5-dimethyl-N-[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzamide
CID 17311084
1-(4-methoxy-3-methylphenyl)-3-(4-methylphenyl)sulfonylurea
CID 110774458
2-[(3,4-dimethylphenyl)sulfonylamino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110370277
1-N,4-N-bis[4-[(5-methyl-1,2-oxazol-3-yl)sulfamoyl]phenyl]benzene-1,4-dicarboxamide
CID 5175832

Frequently Asked Questions

What is the IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfonylurea?
The IUPAC name of 1-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfonylurea (CID 2740796) is 1-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfonylurea.
What is the SMILES notation for 1-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfonylurea?
The canonical SMILES for 1-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfonylurea is Cc1ccc(S(=O)(=O)NC(=O)Nc2cc(C)on2)cc1.
What is the InChIKey of 1-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfonylurea?
The InChIKey is QPOIZWPVJOWFSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O4S/c1-8-3-5-10(6-4-8)20(17,18)15-12(16)13-11-7-9(2)19-14-11/h3-7H,1-2H3,(H2,13,14,15,16).
What are the key properties of 1-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfonylurea?
1-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfonylurea has a molecular weight of 295.32 g/mol, XLogP of 1.80, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfonylurea is sourced from PubChem (CID 2740796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).