[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methanamine;3-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-1-(5-phenyl-1,2-oxazol-3-yl)propan-1-one;methyl 5-phenyl-1,2-oxazole-3-carboxylate;5-phenyl-1,2-oxazole-3-carboxylic acid

C58H52N8O8 — CID 159011877

About [5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methanamine;3-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-1-(5-phenyl-1,2-oxazol-3-yl)propan-1-one;methyl 5-phenyl-1,2-oxazole-3-carboxylate;5-phenyl-1,2-oxazole-3-carboxylic acid

[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methanamine;3-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-1-(5-phenyl-1,2-oxazol-3-yl)propan-1-one;methyl 5-phenyl-1,2-oxazole-3-carboxylate;5-phenyl-1,2-oxazole-3-carboxylic acid (PubChem CID 159011877) has the molecular formula C58H52N8O8 and a molecular weight of 989.10 g/mol. Its IUPAC name is [5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methanamine;3-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-1-(5-phenyl-1,2-oxazol-3-yl)propan-1-one;methyl 5-phenyl-1,2-oxazole-3-carboxylate;5-phenyl-1,2-oxazole-3-carboxylic acid.

Molecular Properties

• Compound Name: [5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methanamine;3-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-1-(5-phenyl-1,2-oxazol-3-yl)propan-1-one;methyl 5-phenyl-1,2-oxazole-3-carboxylate;5-phenyl-1,2-oxazole-3-carboxylic acid
• PubChem CID: 159011877
• Molecular Formula: C58H52N8O8
• Molecular Weight: 989.10 g/mol
• Exact Mass: 988.39
• IUPAC Name: [5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methanamine;3-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-1-(5-phenyl-1,2-oxazol-3-yl)propan-1-one;methyl 5-phenyl-1,2-oxazole-3-carboxylate;5-phenyl-1,2-oxazole-3-carboxylic acid
• SMILES: COC(=O)c1cc(-c2ccccc2)on1.Cc1cc(-c2ncc(CCC(=O)c3cc(-c4ccccc4)on3)cc2C)ccn1.Cc1cc(-c2ncc(CN)cc2C)ccn1.O=C(O)c1cc(-c2ccccc2)on1
• InChI: InChI=1S/C24H21N3O2.C13H15N3.C11H9NO3.C10H7NO3/c1-16-12-18(15-26-24(16)20-10-11-25-17(2)13-20)8-9-22(28)21-14-23(29-27-21)19-6-4-3-5-7-19;1-9-5-11(7-14)8-16-13(9)12-3-4-15-10(2)6-12;1-14-11(13)9-7-10(15-12-9)8-5-3-2-4-6-8;12-10(13)8-6-9(14-11-8)7-4-2-1-3-5-7/h3-7,10-15H,8-9H2,1-2H3;3-6,8H,7,14H2,1-2H3;2-7H,1H3;1-6H,(H,12,13)
• InChIKey: JSPCMSAQGJYAOT-UHFFFAOYSA-N
• XLogP: 11.62
• TPSA: 236.34 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 74
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	989.10
LogP ≤ 5	11.62
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of [5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methanamine;3-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-1-(5-phenyl-1,2-oxazol-3-yl)propan-1-one;methyl 5-phenyl-1,2-oxazole-3-carboxylate;5-phenyl-1,2-oxazole-3-carboxylic acid?

The IUPAC name of [5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methanamine;3-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-1-(5-phenyl-1,2-oxazol-3-yl)propan-1-one;methyl 5-phenyl-1,2-oxazole-3-carboxylate;5-phenyl-1,2-oxazole-3-carboxylic acid (CID 159011877) is [5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methanamine;3-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-1-(5-phenyl-1,2-oxazol-3-yl)propan-1-one;methyl 5-phenyl-1,2-oxazole-3-carboxylate;5-phenyl-1,2-oxazole-3-carboxylic acid.

What is the SMILES notation for [5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methanamine;3-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-1-(5-phenyl-1,2-oxazol-3-yl)propan-1-one;methyl 5-phenyl-1,2-oxazole-3-carboxylate;5-phenyl-1,2-oxazole-3-carboxylic acid?

The canonical SMILES for [5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methanamine;3-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-1-(5-phenyl-1,2-oxazol-3-yl)propan-1-one;methyl 5-phenyl-1,2-oxazole-3-carboxylate;5-phenyl-1,2-oxazole-3-carboxylic acid is COC(=O)c1cc(-c2ccccc2)on1.Cc1cc(-c2ncc(CCC(=O)c3cc(-c4ccccc4)on3)cc2C)ccn1.Cc1cc(-c2ncc(CN)cc2C)ccn1.O=C(O)c1cc(-c2ccccc2)on1.

What is the InChIKey of [5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methanamine;3-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-1-(5-phenyl-1,2-oxazol-3-yl)propan-1-one;methyl 5-phenyl-1,2-oxazole-3-carboxylate;5-phenyl-1,2-oxazole-3-carboxylic acid?

The InChIKey is JSPCMSAQGJYAOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O2.C13H15N3.C11H9NO3.C10H7NO3/c1-16-12-18(15-26-24(16)20-10-11-25-17(2)13-20)8-9-22(28)21-14-23(29-27-21)19-6-4-3-5-7-19;1-9-5-11(7-14)8-16-13(9)12-3-4-15-10(2)6-12;1-14-11(13)9-7-10(15-12-9)8-5-3-2-4-6-8;12-10(13)8-6-9(14-11-8)7-4-2-1-3-5-7/h3-7,10-15H,8-9H2,1-2H3;3-6,8H,7,14H2,1-2H3;2-7H,1H3;1-6H,(H,12,13).

What are the key properties of [5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methanamine;3-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-1-(5-phenyl-1,2-oxazol-3-yl)propan-1-one;methyl 5-phenyl-1,2-oxazole-3-carboxylate;5-phenyl-1,2-oxazole-3-carboxylic acid?

[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methanamine;3-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-1-(5-phenyl-1,2-oxazol-3-yl)propan-1-one;methyl 5-phenyl-1,2-oxazole-3-carboxylate;5-phenyl-1,2-oxazole-3-carboxylic acid has a molecular weight of 989.10 g/mol, XLogP of 11.62, 12 rotatable bonds, 2 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for [5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methanamine;3-[5-methyl-6-(2-methyl-4-pyridinyl)-3-pyridinyl]-1-(5-phenyl-1,2-oxazol-3-yl)propan-1-one;methyl 5-phenyl-1,2-oxazole-3-carboxylate;5-phenyl-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 159011877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).