N-[4-[[(6R)-6-ethyl-2-formyl-5-(3-hydroxy-4-methoxyphenyl)-2,6-dihydro-1,3,4-oxadiazin-3-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide

C24H24N4O6 — CID 175242467

About N-[4-[[(6R)-6-ethyl-2-formyl-5-(3-hydroxy-4-methoxyphenyl)-2,6-dihydro-1,3,4-oxadiazin-3-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide

N-[4-[[(6R)-6-ethyl-2-formyl-5-(3-hydroxy-4-methoxyphenyl)-2,6-dihydro-1,3,4-oxadiazin-3-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide (PubChem CID 175242467) has the molecular formula C24H24N4O6 and a molecular weight of 464.48 g/mol. Its IUPAC name is N-[4-[[(6R)-6-ethyl-2-formyl-5-(3-hydroxy-4-methoxyphenyl)-2,6-dihydro-1,3,4-oxadiazin-3-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

• Compound Name: N-[4-[[(6R)-6-ethyl-2-formyl-5-(3-hydroxy-4-methoxyphenyl)-2,6-dihydro-1,3,4-oxadiazin-3-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide
• PubChem CID: 175242467
• Molecular Formula: C24H24N4O6
• Molecular Weight: 464.48 g/mol
• Exact Mass: 464.17
• IUPAC Name: N-[4-[[(6R)-6-ethyl-2-formyl-5-(3-hydroxy-4-methoxyphenyl)-2,6-dihydro-1,3,4-oxadiazin-3-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide
• SMILES: CC[C@H]1OC(C=O)N(Cc2ccc(NC(=O)c3cnco3)cc2)N=C1c1ccc(OC)c(O)c1
• InChI: InChI=1S/C24H24N4O6/c1-3-19-23(16-6-9-20(32-2)18(30)10-16)27-28(22(13-29)34-19)12-15-4-7-17(8-5-15)26-24(31)21-11-25-14-33-21/h4-11,13-14,19,22,30H,3,12H2,1-2H3,(H,26,31)/t19-,22?/m1/s1
• InChIKey: OBWOTCXKSPVHNE-LCQOSCCDSA-N
• XLogP: 3.18
• TPSA: 126.49 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	464.48
LogP ≤ 5	3.18
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(6R)-6-ethyl-2-formyl-5-(3-hydroxy-4-methoxyphenyl)-2,6-dihydro-1,3,4-oxadiazin-3-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide?

The IUPAC name of N-[4-[[(6R)-6-ethyl-2-formyl-5-(3-hydroxy-4-methoxyphenyl)-2,6-dihydro-1,3,4-oxadiazin-3-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide (CID 175242467) is N-[4-[[(6R)-6-ethyl-2-formyl-5-(3-hydroxy-4-methoxyphenyl)-2,6-dihydro-1,3,4-oxadiazin-3-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide.

What is the SMILES notation for N-[4-[[(6R)-6-ethyl-2-formyl-5-(3-hydroxy-4-methoxyphenyl)-2,6-dihydro-1,3,4-oxadiazin-3-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide?

The canonical SMILES for N-[4-[[(6R)-6-ethyl-2-formyl-5-(3-hydroxy-4-methoxyphenyl)-2,6-dihydro-1,3,4-oxadiazin-3-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide is CC[C@H]1OC(C=O)N(Cc2ccc(NC(=O)c3cnco3)cc2)N=C1c1ccc(OC)c(O)c1.

What is the InChIKey of N-[4-[[(6R)-6-ethyl-2-formyl-5-(3-hydroxy-4-methoxyphenyl)-2,6-dihydro-1,3,4-oxadiazin-3-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide?

The InChIKey is OBWOTCXKSPVHNE-LCQOSCCDSA-N. The full InChI is InChI=1S/C24H24N4O6/c1-3-19-23(16-6-9-20(32-2)18(30)10-16)27-28(22(13-29)34-19)12-15-4-7-17(8-5-15)26-24(31)21-11-25-14-33-21/h4-11,13-14,19,22,30H,3,12H2,1-2H3,(H,26,31)/t19-,22?/m1/s1.

What are the key properties of N-[4-[[(6R)-6-ethyl-2-formyl-5-(3-hydroxy-4-methoxyphenyl)-2,6-dihydro-1,3,4-oxadiazin-3-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide?

N-[4-[[(6R)-6-ethyl-2-formyl-5-(3-hydroxy-4-methoxyphenyl)-2,6-dihydro-1,3,4-oxadiazin-3-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide has a molecular weight of 464.48 g/mol, XLogP of 3.18, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[[(6R)-6-ethyl-2-formyl-5-(3-hydroxy-4-methoxyphenyl)-2,6-dihydro-1,3,4-oxadiazin-3-yl]methyl]phenyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 175242467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).