N-[[2-[3-[(2,5-dimethylfuran-3-carbonyl)amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

C24H24N4O4S — CID 42330844

About N-[[2-[3-[(2,5-dimethylfuran-3-carbonyl)amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide

N-[[2-[3-[(2,5-dimethylfuran-3-carbonyl)amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (PubChem CID 42330844) has the molecular formula C24H24N4O4S and a molecular weight of 464.55 g/mol. Its IUPAC name is N-[[2-[3-[(2,5-dimethylfuran-3-carbonyl)amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[[2-[3-[(2,5-dimethylfuran-3-carbonyl)amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
• PubChem CID: 42330844
• Molecular Formula: C24H24N4O4S
• Molecular Weight: 464.55 g/mol
• Exact Mass: 464.15
• IUPAC Name: N-[[2-[3-[(2,5-dimethylfuran-3-carbonyl)amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
• SMILES: Cc1cc(C(=O)Nc2cccc(-c3nc(CNC(=O)c4sc(C)nc4C)c(C)o3)c2)c(C)o1
• InChI: InChI=1S/C24H24N4O4S/c1-12-9-19(14(3)31-12)22(29)27-18-8-6-7-17(10-18)24-28-20(15(4)32-24)11-25-23(30)21-13(2)26-16(5)33-21/h6-10H,11H2,1-5H3,(H,25,30)(H,27,29)
• InChIKey: OGGRNJAHLUEXEP-UHFFFAOYSA-N
• XLogP: 5.12
• TPSA: 110.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	464.55
LogP ≤ 5	5.12
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[[2-[3-[(2,5-dimethylfuran-3-carbonyl)amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide (CID 42330844) is N-[[2-[3-[(2,5-dimethylfuran-3-carbonyl)amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide.

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

The canonical SMILES for N-[[2-[3-[(2,5-dimethylfuran-3-carbonyl)amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is Cc1cc(C(=O)Nc2cccc(-c3nc(CNC(=O)c4sc(C)nc4C)c(C)o3)c2)c(C)o1.

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

The InChIKey is OGGRNJAHLUEXEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O4S/c1-12-9-19(14(3)31-12)22(29)27-18-8-6-7-17(10-18)24-28-20(15(4)32-24)11-25-23(30)21-13(2)26-16(5)33-21/h6-10H,11H2,1-5H3,(H,25,30)(H,27,29).

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

N-[[2-[3-[(2,5-dimethylfuran-3-carbonyl)amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide has a molecular weight of 464.55 g/mol, XLogP of 5.12, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[2-[3-[(2,5-dimethylfuran-3-carbonyl)amino]phenyl]-5-methyl-1,3-oxazol-4-yl]methyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 42330844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).