4-methyl-2-[3-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)butyl]-4,5-dihydro-1,3-oxazole

C12H20N2O2 — CID 57081592

About 4-methyl-2-[3-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)butyl]-4,5-dihydro-1,3-oxazole

4-methyl-2-[3-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)butyl]-4,5-dihydro-1,3-oxazole (PubChem CID 57081592) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-methyl-2-[3-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)butyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

• Compound Name: 4-methyl-2-[3-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)butyl]-4,5-dihydro-1,3-oxazole
• PubChem CID: 57081592
• Molecular Formula: C12H20N2O2
• Molecular Weight: 224.30 g/mol
• Exact Mass: 224.15
• IUPAC Name: 4-methyl-2-[3-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)butyl]-4,5-dihydro-1,3-oxazole
• SMILES: CC1COC(CCC(C)C2=NCC(C)O2)=N1
• InChI: InChI=1S/C12H20N2O2/c1-8(12-13-6-10(3)16-12)4-5-11-14-9(2)7-15-11/h8-10H,4-7H2,1-3H3
• InChIKey: PZICLHIOETXCEI-UHFFFAOYSA-N
• XLogP: 2.04
• TPSA: 43.18 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 16
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	224.30
LogP ≤ 5	2.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[3-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)butyl]-4,5-dihydro-1,3-oxazole?

The IUPAC name of 4-methyl-2-[3-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)butyl]-4,5-dihydro-1,3-oxazole (CID 57081592) is 4-methyl-2-[3-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)butyl]-4,5-dihydro-1,3-oxazole.

What is the SMILES notation for 4-methyl-2-[3-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)butyl]-4,5-dihydro-1,3-oxazole?

The canonical SMILES for 4-methyl-2-[3-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)butyl]-4,5-dihydro-1,3-oxazole is CC1COC(CCC(C)C2=NCC(C)O2)=N1.

What is the InChIKey of 4-methyl-2-[3-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)butyl]-4,5-dihydro-1,3-oxazole?

The InChIKey is PZICLHIOETXCEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-8(12-13-6-10(3)16-12)4-5-11-14-9(2)7-15-11/h8-10H,4-7H2,1-3H3.

What are the key properties of 4-methyl-2-[3-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)butyl]-4,5-dihydro-1,3-oxazole?

4-methyl-2-[3-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)butyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 224.30 g/mol, XLogP of 2.04, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-methyl-2-[3-(5-methyl-4,5-dihydro-1,3-oxazol-2-yl)butyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 57081592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).