N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide

C25H23N5O5S — CID 11762890

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide (PubChem CID 11762890) has the molecular formula C25H23N5O5S and a molecular weight of 505.56 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

• Compound Name: N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide
• PubChem CID: 11762890
• Molecular Formula: C25H23N5O5S
• Molecular Weight: 505.56 g/mol
• Exact Mass: 505.14
• IUPAC Name: N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide
• SMILES: Cc1cc(NCc2cc(-c3ncco3)ccc2-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)no1
• InChI: InChI=1S/C25H23N5O5S/c1-15-12-23(29-34-15)27-14-19-13-18(25-26-10-11-33-25)8-9-20(19)21-6-4-5-7-22(21)36(31,32)30-24-16(2)17(3)28-35-24/h4-13,30H,14H2,1-3H3,(H,27,29)
• InChIKey: FAXAQTJCDNWXMJ-UHFFFAOYSA-N
• XLogP: 5.32
• TPSA: 136.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	505.56
LogP ≤ 5	5.32
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide?

The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide (CID 11762890) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide.

What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide?

The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide is Cc1cc(NCc2cc(-c3ncco3)ccc2-c2ccccc2S(=O)(=O)Nc2onc(C)c2C)no1.

What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide?

The InChIKey is FAXAQTJCDNWXMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O5S/c1-15-12-23(29-34-15)27-14-19-13-18(25-26-10-11-33-25)8-9-20(19)21-6-4-5-7-22(21)36(31,32)30-24-16(2)17(3)28-35-24/h4-13,30H,14H2,1-3H3,(H,27,29).

What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide?

N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide has a molecular weight of 505.56 g/mol, XLogP of 5.32, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-[2-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]-4-(1,3-oxazol-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 11762890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).