2-[6-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)hexyl]-4-propan-2-yl-4H-1,3-oxazol-5-one

C18H28N2O4 — CID 19881978

About 2-[6-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)hexyl]-4-propan-2-yl-4H-1,3-oxazol-5-one

2-[6-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)hexyl]-4-propan-2-yl-4H-1,3-oxazol-5-one (PubChem CID 19881978) has the molecular formula C18H28N2O4 and a molecular weight of 336.43 g/mol. Its IUPAC name is 2-[6-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)hexyl]-4-propan-2-yl-4H-1,3-oxazol-5-one.

Molecular Properties

• Compound Name: 2-[6-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)hexyl]-4-propan-2-yl-4H-1,3-oxazol-5-one
• PubChem CID: 19881978
• Molecular Formula: C18H28N2O4
• Molecular Weight: 336.43 g/mol
• Exact Mass: 336.20
• IUPAC Name: 2-[6-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)hexyl]-4-propan-2-yl-4H-1,3-oxazol-5-one
• SMILES: CC(C)C1N=C(CCCCCCC2=NC(C(C)C)C(=O)O2)OC1=O
• InChI: InChI=1S/C18H28N2O4/c1-11(2)15-17(21)23-13(19-15)9-7-5-6-8-10-14-20-16(12(3)4)18(22)24-14/h11-12,15-16H,5-10H2,1-4H3
• InChIKey: RMCCLDYXKPJFOC-UHFFFAOYSA-N
• XLogP: 3.29
• TPSA: 77.32 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	336.43
LogP ≤ 5	3.29
H-Bond Donors ≤ 5	0
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 2-[6-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)hexyl]-4-propan-2-yl-4H-1,3-oxazol-5-one?

The IUPAC name of 2-[6-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)hexyl]-4-propan-2-yl-4H-1,3-oxazol-5-one (CID 19881978) is 2-[6-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)hexyl]-4-propan-2-yl-4H-1,3-oxazol-5-one.

What is the SMILES notation for 2-[6-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)hexyl]-4-propan-2-yl-4H-1,3-oxazol-5-one?

The canonical SMILES for 2-[6-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)hexyl]-4-propan-2-yl-4H-1,3-oxazol-5-one is CC(C)C1N=C(CCCCCCC2=NC(C(C)C)C(=O)O2)OC1=O.

What is the InChIKey of 2-[6-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)hexyl]-4-propan-2-yl-4H-1,3-oxazol-5-one?

The InChIKey is RMCCLDYXKPJFOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N2O4/c1-11(2)15-17(21)23-13(19-15)9-7-5-6-8-10-14-20-16(12(3)4)18(22)24-14/h11-12,15-16H,5-10H2,1-4H3.

What are the key properties of 2-[6-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)hexyl]-4-propan-2-yl-4H-1,3-oxazol-5-one?

2-[6-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)hexyl]-4-propan-2-yl-4H-1,3-oxazol-5-one has a molecular weight of 336.43 g/mol, XLogP of 3.29, 9 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)hexyl]-4-propan-2-yl-4H-1,3-oxazol-5-one is sourced from PubChem (CID 19881978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).