6-cyclopropyl-N-[(2,3-dimethoxyphenyl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C25H23N3O4 — CID 55718526

About 6-cyclopropyl-N-[(2,3-dimethoxyphenyl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-cyclopropyl-N-[(2,3-dimethoxyphenyl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55718526) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is 6-cyclopropyl-N-[(2,3-dimethoxyphenyl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-cyclopropyl-N-[(2,3-dimethoxyphenyl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 55718526
• Molecular Formula: C25H23N3O4
• Molecular Weight: 429.48 g/mol
• Exact Mass: 429.17
• IUPAC Name: 6-cyclopropyl-N-[(2,3-dimethoxyphenyl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• SMILES: COc1cccc(CNC(=O)c2cc(C3CC3)nc3onc(-c4ccccc4)c23)c1OC
• InChI: InChI=1S/C25H23N3O4/c1-30-20-10-6-9-17(23(20)31-2)14-26-24(29)18-13-19(15-11-12-15)27-25-21(18)22(28-32-25)16-7-4-3-5-8-16/h3-10,13,15H,11-12,14H2,1-2H3,(H,26,29)
• InChIKey: FCZGVIHEWDLHOJ-UHFFFAOYSA-N
• XLogP: 4.71
• TPSA: 86.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	429.48
LogP ≤ 5	4.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-N-[(2,3-dimethoxyphenyl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 6-cyclopropyl-N-[(2,3-dimethoxyphenyl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 55718526) is 6-cyclopropyl-N-[(2,3-dimethoxyphenyl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 6-cyclopropyl-N-[(2,3-dimethoxyphenyl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 6-cyclopropyl-N-[(2,3-dimethoxyphenyl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is COc1cccc(CNC(=O)c2cc(C3CC3)nc3onc(-c4ccccc4)c23)c1OC.

What is the InChIKey of 6-cyclopropyl-N-[(2,3-dimethoxyphenyl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is FCZGVIHEWDLHOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-30-20-10-6-9-17(23(20)31-2)14-26-24(29)18-13-19(15-11-12-15)27-25-21(18)22(28-32-25)16-7-4-3-5-8-16/h3-10,13,15H,11-12,14H2,1-2H3,(H,26,29).

What are the key properties of 6-cyclopropyl-N-[(2,3-dimethoxyphenyl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

6-cyclopropyl-N-[(2,3-dimethoxyphenyl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 429.48 g/mol, XLogP of 4.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-cyclopropyl-N-[(2,3-dimethoxyphenyl)methyl]-3-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55718526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).