N-[[3-[2-hydroxy-4-(2-methyl-7-morpholin-4-yl-7-oxoheptan-2-yl)phenyl]phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide

C30H37N3O5 — CID 11577223

About N-[[3-[2-hydroxy-4-(2-methyl-7-morpholin-4-yl-7-oxoheptan-2-yl)phenyl]phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[[3-[2-hydroxy-4-(2-methyl-7-morpholin-4-yl-7-oxoheptan-2-yl)phenyl]phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 11577223) has the molecular formula C30H37N3O5 and a molecular weight of 519.64 g/mol. Its IUPAC name is N-[[3-[2-hydroxy-4-(2-methyl-7-morpholin-4-yl-7-oxoheptan-2-yl)phenyl]phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[[3-[2-hydroxy-4-(2-methyl-7-morpholin-4-yl-7-oxoheptan-2-yl)phenyl]phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
• PubChem CID: 11577223
• Molecular Formula: C30H37N3O5
• Molecular Weight: 519.64 g/mol
• Exact Mass: 519.27
• IUPAC Name: N-[[3-[2-hydroxy-4-(2-methyl-7-morpholin-4-yl-7-oxoheptan-2-yl)phenyl]phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
• SMILES: Cc1cc(C(=O)NCc2cccc(-c3ccc(C(C)(C)CCCCC(=O)N4CCOCC4)cc3O)c2)no1
• InChI: InChI=1S/C30H37N3O5/c1-21-17-26(32-38-21)29(36)31-20-22-7-6-8-23(18-22)25-11-10-24(19-27(25)34)30(2,3)12-5-4-9-28(35)33-13-15-37-16-14-33/h6-8,10-11,17-19,34H,4-5,9,12-16,20H2,1-3H3,(H,31,36)
• InChIKey: YECWBTFRQPWWFN-UHFFFAOYSA-N
• XLogP: 4.98
• TPSA: 104.90 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 10
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.64
LogP ≤ 5	4.98
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-hydroxy-4-(2-methyl-7-morpholin-4-yl-7-oxoheptan-2-yl)phenyl]phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?

The IUPAC name of N-[[3-[2-hydroxy-4-(2-methyl-7-morpholin-4-yl-7-oxoheptan-2-yl)phenyl]phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 11577223) is N-[[3-[2-hydroxy-4-(2-methyl-7-morpholin-4-yl-7-oxoheptan-2-yl)phenyl]phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide.

What is the SMILES notation for N-[[3-[2-hydroxy-4-(2-methyl-7-morpholin-4-yl-7-oxoheptan-2-yl)phenyl]phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?

The canonical SMILES for N-[[3-[2-hydroxy-4-(2-methyl-7-morpholin-4-yl-7-oxoheptan-2-yl)phenyl]phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCc2cccc(-c3ccc(C(C)(C)CCCCC(=O)N4CCOCC4)cc3O)c2)no1.

What is the InChIKey of N-[[3-[2-hydroxy-4-(2-methyl-7-morpholin-4-yl-7-oxoheptan-2-yl)phenyl]phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?

The InChIKey is YECWBTFRQPWWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H37N3O5/c1-21-17-26(32-38-21)29(36)31-20-22-7-6-8-23(18-22)25-11-10-24(19-27(25)34)30(2,3)12-5-4-9-28(35)33-13-15-37-16-14-33/h6-8,10-11,17-19,34H,4-5,9,12-16,20H2,1-3H3,(H,31,36).

What are the key properties of N-[[3-[2-hydroxy-4-(2-methyl-7-morpholin-4-yl-7-oxoheptan-2-yl)phenyl]phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?

N-[[3-[2-hydroxy-4-(2-methyl-7-morpholin-4-yl-7-oxoheptan-2-yl)phenyl]phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 519.64 g/mol, XLogP of 4.98, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[2-hydroxy-4-(2-methyl-7-morpholin-4-yl-7-oxoheptan-2-yl)phenyl]phenyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 11577223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).