6-(2,5-dimethylfuran-3-yl)-N-[2-[(4-hydroxybenzoyl)amino]ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C23H22N4O5 — CID 55869238

About 6-(2,5-dimethylfuran-3-yl)-N-[2-[(4-hydroxybenzoyl)amino]ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-(2,5-dimethylfuran-3-yl)-N-[2-[(4-hydroxybenzoyl)amino]ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55869238) has the molecular formula C23H22N4O5 and a molecular weight of 434.45 g/mol. Its IUPAC name is 6-(2,5-dimethylfuran-3-yl)-N-[2-[(4-hydroxybenzoyl)amino]ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-(2,5-dimethylfuran-3-yl)-N-[2-[(4-hydroxybenzoyl)amino]ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 55869238
• Molecular Formula: C23H22N4O5
• Molecular Weight: 434.45 g/mol
• Exact Mass: 434.16
• IUPAC Name: 6-(2,5-dimethylfuran-3-yl)-N-[2-[(4-hydroxybenzoyl)amino]ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1cc(-c2cc(C(=O)NCCNC(=O)c3ccc(O)cc3)c3c(C)noc3n2)c(C)o1
• InChI: InChI=1S/C23H22N4O5/c1-12-10-17(14(3)31-12)19-11-18(20-13(2)27-32-23(20)26-19)22(30)25-9-8-24-21(29)15-4-6-16(28)7-5-15/h4-7,10-11,28H,8-9H2,1-3H3,(H,24,29)(H,25,30)
• InChIKey: CCBWARYDOBLYSF-UHFFFAOYSA-N
• XLogP: 3.27
• TPSA: 130.49 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.45
LogP ≤ 5	3.27
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylfuran-3-yl)-N-[2-[(4-hydroxybenzoyl)amino]ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 6-(2,5-dimethylfuran-3-yl)-N-[2-[(4-hydroxybenzoyl)amino]ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 55869238) is 6-(2,5-dimethylfuran-3-yl)-N-[2-[(4-hydroxybenzoyl)amino]ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 6-(2,5-dimethylfuran-3-yl)-N-[2-[(4-hydroxybenzoyl)amino]ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 6-(2,5-dimethylfuran-3-yl)-N-[2-[(4-hydroxybenzoyl)amino]ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(-c2cc(C(=O)NCCNC(=O)c3ccc(O)cc3)c3c(C)noc3n2)c(C)o1.

What is the InChIKey of 6-(2,5-dimethylfuran-3-yl)-N-[2-[(4-hydroxybenzoyl)amino]ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is CCBWARYDOBLYSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O5/c1-12-10-17(14(3)31-12)19-11-18(20-13(2)27-32-23(20)26-19)22(30)25-9-8-24-21(29)15-4-6-16(28)7-5-15/h4-7,10-11,28H,8-9H2,1-3H3,(H,24,29)(H,25,30).

What are the key properties of 6-(2,5-dimethylfuran-3-yl)-N-[2-[(4-hydroxybenzoyl)amino]ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

6-(2,5-dimethylfuran-3-yl)-N-[2-[(4-hydroxybenzoyl)amino]ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 434.45 g/mol, XLogP of 3.27, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,5-dimethylfuran-3-yl)-N-[2-[(4-hydroxybenzoyl)amino]ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55869238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).