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

C12H20N2O2 — CID 22101633

IUPAC4-methyl-2-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)butyl]-4,5-dihydro-1,3-oxazole
SMILESCC1COC(CCCCC2=NC(C)CO2)=N1
InChIInChI=1S/C12H20N2O2/c1-9-7-15-11(13-9)5-3-4-6-12-14-10(2)8-16-12/h9-10H,3-8H2,1-2H3
InChIKeyMNLWBYRDZSSDHV-UHFFFAOYSA-N
MW224.30 g/mol
LogP2.18
Rot. Bonds5

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

4-methyl-2-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)butyl]-4,5-dihydro-1,3-oxazole (PubChem CID 22101633) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is 4-methyl-2-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)butyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-methyl-2-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)butyl]-4,5-dihydro-1,3-oxazole
PubChem CID22101633
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name4-methyl-2-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)butyl]-4,5-dihydro-1,3-oxazole
SMILESCC1COC(CCCCC2=NC(C)CO2)=N1
InChIInChI=1S/C12H20N2O2/c1-9-7-15-11(13-9)5-3-4-6-12-14-10(2)8-16-12/h9-10H,3-8H2,1-2H3
InChIKeyMNLWBYRDZSSDHV-UHFFFAOYSA-N
XLogP2.18
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)butyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-methyl-2-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)butyl]-4,5-dihydro-1,3-oxazole (CID 22101633) is 4-methyl-2-[4-(4-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-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)butyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-methyl-2-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)butyl]-4,5-dihydro-1,3-oxazole is CC1COC(CCCCC2=NC(C)CO2)=N1.
What is the InChIKey of 4-methyl-2-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)butyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is MNLWBYRDZSSDHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9-7-15-11(13-9)5-3-4-6-12-14-10(2)8-16-12/h9-10H,3-8H2,1-2H3.
What are the key properties of 4-methyl-2-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)butyl]-4,5-dihydro-1,3-oxazole?
4-methyl-2-[4-(4-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 2.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[4-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)butyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 22101633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).