1-[5-fluoro-4-(3-fluoro-5-methylphenyl)-2-methoxyphenyl]-3-methyl-1-[5-(1,2-oxazol-3-ylsulfamoyl)-2-pyridinyl]urea

C24H21F2N5O5S — CID 134201144

About 1-[5-fluoro-4-(3-fluoro-5-methylphenyl)-2-methoxyphenyl]-3-methyl-1-[5-(1,2-oxazol-3-ylsulfamoyl)-2-pyridinyl]urea

1-[5-fluoro-4-(3-fluoro-5-methylphenyl)-2-methoxyphenyl]-3-methyl-1-[5-(1,2-oxazol-3-ylsulfamoyl)-2-pyridinyl]urea (PubChem CID 134201144) has the molecular formula C24H21F2N5O5S and a molecular weight of 529.53 g/mol. Its IUPAC name is 1-[5-fluoro-4-(3-fluoro-5-methylphenyl)-2-methoxyphenyl]-3-methyl-1-[5-(1,2-oxazol-3-ylsulfamoyl)-2-pyridinyl]urea.

Molecular Properties

• Compound Name: 1-[5-fluoro-4-(3-fluoro-5-methylphenyl)-2-methoxyphenyl]-3-methyl-1-[5-(1,2-oxazol-3-ylsulfamoyl)-2-pyridinyl]urea
• PubChem CID: 134201144
• Molecular Formula: C24H21F2N5O5S
• Molecular Weight: 529.53 g/mol
• Exact Mass: 529.12
• IUPAC Name: 1-[5-fluoro-4-(3-fluoro-5-methylphenyl)-2-methoxyphenyl]-3-methyl-1-[5-(1,2-oxazol-3-ylsulfamoyl)-2-pyridinyl]urea
• SMILES: CNC(=O)N(c1ccc(S(=O)(=O)Nc2ccon2)cn1)c1cc(F)c(-c2cc(C)cc(F)c2)cc1OC
• InChI: InChI=1S/C24H21F2N5O5S/c1-14-8-15(10-16(25)9-14)18-11-21(35-3)20(12-19(18)26)31(24(32)27-2)23-5-4-17(13-28-23)37(33,34)30-22-6-7-36-29-22/h4-13H,1-3H3,(H,27,32)(H,29,30)
• InChIKey: DZGIFXXPTDRIEH-UHFFFAOYSA-N
• XLogP: 4.61
• TPSA: 126.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	529.53
LogP ≤ 5	4.61
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[5-fluoro-4-(3-fluoro-5-methylphenyl)-2-methoxyphenyl]-3-methyl-1-[5-(1,2-oxazol-3-ylsulfamoyl)-2-pyridinyl]urea?

The IUPAC name of 1-[5-fluoro-4-(3-fluoro-5-methylphenyl)-2-methoxyphenyl]-3-methyl-1-[5-(1,2-oxazol-3-ylsulfamoyl)-2-pyridinyl]urea (CID 134201144) is 1-[5-fluoro-4-(3-fluoro-5-methylphenyl)-2-methoxyphenyl]-3-methyl-1-[5-(1,2-oxazol-3-ylsulfamoyl)-2-pyridinyl]urea.

What is the SMILES notation for 1-[5-fluoro-4-(3-fluoro-5-methylphenyl)-2-methoxyphenyl]-3-methyl-1-[5-(1,2-oxazol-3-ylsulfamoyl)-2-pyridinyl]urea?

The canonical SMILES for 1-[5-fluoro-4-(3-fluoro-5-methylphenyl)-2-methoxyphenyl]-3-methyl-1-[5-(1,2-oxazol-3-ylsulfamoyl)-2-pyridinyl]urea is CNC(=O)N(c1ccc(S(=O)(=O)Nc2ccon2)cn1)c1cc(F)c(-c2cc(C)cc(F)c2)cc1OC.

What is the InChIKey of 1-[5-fluoro-4-(3-fluoro-5-methylphenyl)-2-methoxyphenyl]-3-methyl-1-[5-(1,2-oxazol-3-ylsulfamoyl)-2-pyridinyl]urea?

The InChIKey is DZGIFXXPTDRIEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O5S/c1-14-8-15(10-16(25)9-14)18-11-21(35-3)20(12-19(18)26)31(24(32)27-2)23-5-4-17(13-28-23)37(33,34)30-22-6-7-36-29-22/h4-13H,1-3H3,(H,27,32)(H,29,30).

What are the key properties of 1-[5-fluoro-4-(3-fluoro-5-methylphenyl)-2-methoxyphenyl]-3-methyl-1-[5-(1,2-oxazol-3-ylsulfamoyl)-2-pyridinyl]urea?

1-[5-fluoro-4-(3-fluoro-5-methylphenyl)-2-methoxyphenyl]-3-methyl-1-[5-(1,2-oxazol-3-ylsulfamoyl)-2-pyridinyl]urea has a molecular weight of 529.53 g/mol, XLogP of 4.61, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-fluoro-4-(3-fluoro-5-methylphenyl)-2-methoxyphenyl]-3-methyl-1-[5-(1,2-oxazol-3-ylsulfamoyl)-2-pyridinyl]urea is sourced from PubChem (CID 134201144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).