N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C27H22N4O4 — CID 43069822

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

N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 43069822) has the molecular formula C27H22N4O4 and a molecular weight of 466.50 g/mol. Its IUPAC name is N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 43069822
• Molecular Formula: C27H22N4O4
• Molecular Weight: 466.50 g/mol
• Exact Mass: 466.16
• IUPAC Name: N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• SMILES: COc1ccc(NC(=O)c2cc(-c3ccccc3)nc3onc(C)c23)cc1OCc1cccnc1
• InChI: InChI=1S/C27H22N4O4/c1-17-25-21(14-22(30-27(25)35-31-17)19-8-4-3-5-9-19)26(32)29-20-10-11-23(33-2)24(13-20)34-16-18-7-6-12-28-15-18/h3-15H,16H2,1-2H3,(H,29,32)
• InChIKey: LKWLVEZZDXNIOV-UHFFFAOYSA-N
• XLogP: 5.43
• TPSA: 99.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.50
LogP ≤ 5	5.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 43069822) is N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

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

The canonical SMILES for N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is COc1ccc(NC(=O)c2cc(-c3ccccc3)nc3onc(C)c23)cc1OCc1cccnc1.

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

The InChIKey is LKWLVEZZDXNIOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H22N4O4/c1-17-25-21(14-22(30-27(25)35-31-17)19-8-4-3-5-9-19)26(32)29-20-10-11-23(33-2)24(13-20)34-16-18-7-6-12-28-15-18/h3-15H,16H2,1-2H3,(H,29,32).

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

N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 466.50 g/mol, XLogP of 5.43, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-methoxy-3-(pyridin-3-ylmethoxy)phenyl]-3-methyl-6-phenyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 43069822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).