N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-N,1-dimethylpyrazole-4-carboxamide

C27H26N6O5S — CID 22103528

About N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-N,1-dimethylpyrazole-4-carboxamide

N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-N,1-dimethylpyrazole-4-carboxamide (PubChem CID 22103528) has the molecular formula C27H26N6O5S and a molecular weight of 546.61 g/mol. Its IUPAC name is N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-N,1-dimethylpyrazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-N,1-dimethylpyrazole-4-carboxamide
• PubChem CID: 22103528
• Molecular Formula: C27H26N6O5S
• Molecular Weight: 546.61 g/mol
• Exact Mass: 546.17
• IUPAC Name: N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-N,1-dimethylpyrazole-4-carboxamide
• SMILES: Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CN(C)C(=O)c2cnn(C)c2)c1C
• InChI: InChI=1S/C27H26N6O5S/c1-17-18(2)30-38-25(17)31-39(35,36)24-8-6-5-7-23(24)22-10-9-19(26-28-11-12-37-26)13-20(22)15-32(3)27(34)21-14-29-33(4)16-21/h5-14,16,31H,15H2,1-4H3
• InChIKey: IXDSIKQHFRBQFP-UHFFFAOYSA-N
• XLogP: 4.42
• TPSA: 136.36 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	546.61
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

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

The IUPAC name of N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-N,1-dimethylpyrazole-4-carboxamide (CID 22103528) is N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-N,1-dimethylpyrazole-4-carboxamide.

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

The canonical SMILES for N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-N,1-dimethylpyrazole-4-carboxamide is Cc1noc(NS(=O)(=O)c2ccccc2-c2ccc(-c3ncco3)cc2CN(C)C(=O)c2cnn(C)c2)c1C.

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

The InChIKey is IXDSIKQHFRBQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N6O5S/c1-17-18(2)30-38-25(17)31-39(35,36)24-8-6-5-7-23(24)22-10-9-19(26-28-11-12-37-26)13-20(22)15-32(3)27(34)21-14-29-33(4)16-21/h5-14,16,31H,15H2,1-4H3.

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

N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-N,1-dimethylpyrazole-4-carboxamide has a molecular weight of 546.61 g/mol, XLogP of 4.42, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-[2-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]-5-(1,3-oxazol-2-yl)phenyl]methyl]-N,1-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 22103528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).