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

C16H24N2O4 — CID 19881963

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

2-[4-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)butyl]-4-propan-2-yl-4H-1,3-oxazol-5-one (PubChem CID 19881963) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 2-[4-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)butyl]-4-propan-2-yl-4H-1,3-oxazol-5-one.

Molecular Properties

• Compound Name: 2-[4-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)butyl]-4-propan-2-yl-4H-1,3-oxazol-5-one
• PubChem CID: 19881963
• Molecular Formula: C16H24N2O4
• Molecular Weight: 308.38 g/mol
• Exact Mass: 308.17
• IUPAC Name: 2-[4-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)butyl]-4-propan-2-yl-4H-1,3-oxazol-5-one
• SMILES: CC(C)C1N=C(CCCCC2=NC(C(C)C)C(=O)O2)OC1=O
• InChI: InChI=1S/C16H24N2O4/c1-9(2)13-15(19)21-11(17-13)7-5-6-8-12-18-14(10(3)4)16(20)22-12/h9-10,13-14H,5-8H2,1-4H3
• InChIKey: UYDSINLMNOLIDT-UHFFFAOYSA-N
• XLogP: 2.51
• TPSA: 77.32 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 22
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	308.38
LogP ≤ 5	2.51
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-[4-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)butyl]-4-propan-2-yl-4H-1,3-oxazol-5-one?

The IUPAC name of 2-[4-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)butyl]-4-propan-2-yl-4H-1,3-oxazol-5-one (CID 19881963) is 2-[4-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)butyl]-4-propan-2-yl-4H-1,3-oxazol-5-one.

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

The canonical SMILES for 2-[4-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)butyl]-4-propan-2-yl-4H-1,3-oxazol-5-one is CC(C)C1N=C(CCCCC2=NC(C(C)C)C(=O)O2)OC1=O.

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

The InChIKey is UYDSINLMNOLIDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-9(2)13-15(19)21-11(17-13)7-5-6-8-12-18-14(10(3)4)16(20)22-12/h9-10,13-14H,5-8H2,1-4H3.

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

2-[4-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)butyl]-4-propan-2-yl-4H-1,3-oxazol-5-one has a molecular weight of 308.38 g/mol, XLogP of 2.51, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-(5-oxo-4-propan-2-yl-4H-1,3-oxazol-2-yl)butyl]-4-propan-2-yl-4H-1,3-oxazol-5-one is sourced from PubChem (CID 19881963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).