Ethyl 5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,2-oxazole-3-carboxylate;bis(5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,2-oxazole-3-carboxamide)

C₇₄H₅₇N₁₇O₇ — CID 159613466

About Ethyl 5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,2-oxazole-3-carboxylate;bis(5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,2-oxazole-3-carboxamide)

Ethyl 5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,2-oxazole-3-carboxylate;bis(5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,2-oxazole-3-carboxamide) (PubChem CID 159613466) has the molecular formula C₇₄H₅₇N₁₇O₇ and a molecular weight of 1296.38 g/mol. Its IUPAC name is ethyl 5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,2-oxazole-3-carboxylate;bis(5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,2-oxazole-3-carboxamide).

Molecular Properties

• Compound Name: Ethyl 5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,2-oxazole-3-carboxylate;bis(5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,2-oxazole-3-carboxamide)
• PubChem CID: 159613466
• Molecular Formula: C₇₄H₅₇N₁₇O₇
• Molecular Weight: 1296.38 g/mol
• Exact Mass: 1295.46
• IUPAC Name: ethyl 5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,2-oxazole-3-carboxylate;bis(5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,2-oxazole-3-carboxamide)
• SMILES: CCOC(=O)c1cc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)on1.NC(=O)c1cc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)on1.NC(=O)c1cc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)on1
• InChI: InChI=1S/C26H21N5O3.2C24H18N6O2/c1-2-33-26(32)21-15-22(34-31-21)24-29-20-13-8-12-19(17-9-4-3-5-10-17)23(20)25(30-24)28-16-18-11-6-7-14-27-18;2*25-22(31)19-13-20(32-30-19)23-28-18-11-6-10-17(15-7-2-1-3-8-15)21(18)24(29-23)27-14-16-9-4-5-12-26-16/h3-15H,2,16H2,1H3,(H,28,29,30);2*1-13H,14H2,(H2,25,31)(H,27,28,29)
• InChIKey: MMZOQJNOLADGBY-UHFFFAOYSA-N
• XLogP: 13.25
• TPSA: 342.67 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 22
• Rotatable Bonds: 19
• Heavy Atoms: 98
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1296.38
LogP ≤ 5	13.25
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	22

Frequently Asked Questions

What is the IUPAC name of Ethyl 5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,2-oxazole-3-carboxylate;bis(5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,2-oxazole-3-carboxamide)?

The IUPAC name of Ethyl 5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,2-oxazole-3-carboxylate;bis(5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,2-oxazole-3-carboxamide) (CID 159613466) is ethyl 5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,2-oxazole-3-carboxylate;bis(5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,2-oxazole-3-carboxamide).

What is the SMILES notation for Ethyl 5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,2-oxazole-3-carboxylate;bis(5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,2-oxazole-3-carboxamide)?

The canonical SMILES for Ethyl 5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,2-oxazole-3-carboxylate;bis(5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,2-oxazole-3-carboxamide) is CCOC(=O)c1cc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)on1.NC(=O)c1cc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)on1.NC(=O)c1cc(-c2nc(NCc3ccccn3)c3c(-c4ccccc4)cccc3n2)on1.

What is the InChIKey of Ethyl 5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,2-oxazole-3-carboxylate;bis(5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,2-oxazole-3-carboxamide)?

The InChIKey is MMZOQJNOLADGBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N5O3.2C24H18N6O2/c1-2-33-26(32)21-15-22(34-31-21)24-29-20-13-8-12-19(17-9-4-3-5-10-17)23(20)25(30-24)28-16-18-11-6-7-14-27-18;2*25-22(31)19-13-20(32-30-19)23-28-18-11-6-10-17(15-7-2-1-3-8-15)21(18)24(29-23)27-14-16-9-4-5-12-26-16/h3-15H,2,16H2,1H3,(H,28,29,30);2*1-13H,14H2,(H2,25,31)(H,27,28,29).

What are the key properties of Ethyl 5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,2-oxazole-3-carboxylate;bis(5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,2-oxazole-3-carboxamide)?

Ethyl 5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,2-oxazole-3-carboxylate;bis(5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,2-oxazole-3-carboxamide) has a molecular weight of 1296.38 g/mol, XLogP of 13.25, 19 rotatable bonds, 5 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for Ethyl 5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,2-oxazole-3-carboxylate;bis(5-[5-phenyl-4-(pyridin-2-ylmethylamino)quinazolin-2-yl]-1,2-oxazole-3-carboxamide) is sourced from PubChem (CID 159613466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 159613466 — identifiers, structure, computed properties (public domain)

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