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

C27H24N4O6 — CID 57490691

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

ethyl 4-[[3-cyano-4-(furan-3-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]-1,3-oxazole-5-carboxylate (PubChem CID 57490691) has the molecular formula C27H24N4O6 and a molecular weight of 500.51 g/mol. Its IUPAC name is ethyl 4-[[3-cyano-4-(furan-3-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]-1,3-oxazole-5-carboxylate.

Molecular Properties

• Compound Name: ethyl 4-[[3-cyano-4-(furan-3-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]-1,3-oxazole-5-carboxylate
• PubChem CID: 57490691
• Molecular Formula: C27H24N4O6
• Molecular Weight: 500.51 g/mol
• Exact Mass: 500.17
• IUPAC Name: ethyl 4-[[3-cyano-4-(furan-3-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]-1,3-oxazole-5-carboxylate
• SMILES: CCOC(=O)c1ocnc1COc1nc(-c2ccc(N3CCOCC3)cc2)cc(-c2ccoc2)c1C#N
• InChI: InChI=1S/C27H24N4O6/c1-2-35-27(32)25-24(29-17-37-25)16-36-26-22(14-28)21(19-7-10-34-15-19)13-23(30-26)18-3-5-20(6-4-18)31-8-11-33-12-9-31/h3-7,10,13,15,17H,2,8-9,11-12,16H2,1H3
• InChIKey: CQQPENNLMKZZDF-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 123.85 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.51
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

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

The IUPAC name of ethyl 4-[[3-cyano-4-(furan-3-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]-1,3-oxazole-5-carboxylate (CID 57490691) is ethyl 4-[[3-cyano-4-(furan-3-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]-1,3-oxazole-5-carboxylate.

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

The canonical SMILES for ethyl 4-[[3-cyano-4-(furan-3-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]-1,3-oxazole-5-carboxylate is CCOC(=O)c1ocnc1COc1nc(-c2ccc(N3CCOCC3)cc2)cc(-c2ccoc2)c1C#N.

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

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

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

ethyl 4-[[3-cyano-4-(furan-3-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]-1,3-oxazole-5-carboxylate has a molecular weight of 500.51 g/mol, XLogP of 4.46, 8 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 4-[[3-cyano-4-(furan-3-yl)-6-(4-morpholin-4-ylphenyl)-2-pyridinyl]oxymethyl]-1,3-oxazole-5-carboxylate is sourced from PubChem (CID 57490691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).