methyl 5-[[3-cyano-4-(4-methyl-1,3-oxazol-5-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]furan-2-carboxylate

C27H24N4O6 — CID 59144065

About methyl 5-[[3-cyano-4-(4-methyl-1,3-oxazol-5-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]furan-2-carboxylate

methyl 5-[[3-cyano-4-(4-methyl-1,3-oxazol-5-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]furan-2-carboxylate (PubChem CID 59144065) has the molecular formula C27H24N4O6 and a molecular weight of 500.51 g/mol. Its IUPAC name is methyl 5-[[3-cyano-4-(4-methyl-1,3-oxazol-5-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]furan-2-carboxylate.

Molecular Properties

• Compound Name: methyl 5-[[3-cyano-4-(4-methyl-1,3-oxazol-5-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]furan-2-carboxylate
• PubChem CID: 59144065
• Molecular Formula: C27H24N4O6
• Molecular Weight: 500.51 g/mol
• Exact Mass: 500.17
• IUPAC Name: methyl 5-[[3-cyano-4-(4-methyl-1,3-oxazol-5-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]furan-2-carboxylate
• SMILES: COC(=O)c1ccc(COc2nc(-c3ccc(N4CCOCC4)cc3)cc(-c3ocnc3C)c2C#N)o1
• InChI: InChI=1S/C27H24N4O6/c1-17-25(36-16-29-17)21-13-23(18-3-5-19(6-4-18)31-9-11-34-12-10-31)30-26(22(21)14-28)35-15-20-7-8-24(37-20)27(32)33-2/h3-8,13,16H,9-12,15H2,1-2H3
• InChIKey: JQCZTCSGCNVJQW-UHFFFAOYSA-N
• XLogP: 4.38
• TPSA: 123.85 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.51
LogP ≤ 5	4.38
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of methyl 5-[[3-cyano-4-(4-methyl-1,3-oxazol-5-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]furan-2-carboxylate?

The IUPAC name of methyl 5-[[3-cyano-4-(4-methyl-1,3-oxazol-5-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]furan-2-carboxylate (CID 59144065) is methyl 5-[[3-cyano-4-(4-methyl-1,3-oxazol-5-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]furan-2-carboxylate.

What is the SMILES notation for methyl 5-[[3-cyano-4-(4-methyl-1,3-oxazol-5-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]furan-2-carboxylate?

The canonical SMILES for methyl 5-[[3-cyano-4-(4-methyl-1,3-oxazol-5-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]furan-2-carboxylate is COC(=O)c1ccc(COc2nc(-c3ccc(N4CCOCC4)cc3)cc(-c3ocnc3C)c2C#N)o1.

What is the InChIKey of methyl 5-[[3-cyano-4-(4-methyl-1,3-oxazol-5-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]furan-2-carboxylate?

The InChIKey is JQCZTCSGCNVJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O6/c1-17-25(36-16-29-17)21-13-23(18-3-5-19(6-4-18)31-9-11-34-12-10-31)30-26(22(21)14-28)35-15-20-7-8-24(37-20)27(32)33-2/h3-8,13,16H,9-12,15H2,1-2H3.

What are the key properties of methyl 5-[[3-cyano-4-(4-methyl-1,3-oxazol-5-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]furan-2-carboxylate?

methyl 5-[[3-cyano-4-(4-methyl-1,3-oxazol-5-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]furan-2-carboxylate has a molecular weight of 500.51 g/mol, XLogP of 4.38, 7 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for methyl 5-[[3-cyano-4-(4-methyl-1,3-oxazol-5-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]furan-2-carboxylate is sourced from PubChem (CID 59144065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).