4-methyl-2-[6-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)hexyl]-4,5-dihydro-1,3-oxazole

C14H24N2O2 — CID 22101630

IUPAC4-methyl-2-[6-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)hexyl]-4,5-dihydro-1,3-oxazole
SMILESCC1COC(CCCCCCC2=NC(C)CO2)=N1
InChIInChI=1S/C14H24N2O2/c1-11-9-17-13(15-11)7-5-3-4-6-8-14-16-12(2)10-18-14/h11-12H,3-10H2,1-2H3
InChIKeyCEZWWDRSKRZWPU-UHFFFAOYSA-N
MW252.36 g/mol
LogP2.96
Rot. Bonds7

About 4-methyl-2-[6-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)hexyl]-4,5-dihydro-1,3-oxazole

4-methyl-2-[6-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)hexyl]-4,5-dihydro-1,3-oxazole (PubChem CID 22101630) has the molecular formula C14H24N2O2 and a molecular weight of 252.36 g/mol. Its IUPAC name is 4-methyl-2-[6-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)hexyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-methyl-2-[6-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)hexyl]-4,5-dihydro-1,3-oxazole
PubChem CID22101630
Molecular FormulaC14H24N2O2
Molecular Weight252.36 g/mol
Exact Mass252.18
IUPAC Name4-methyl-2-[6-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)hexyl]-4,5-dihydro-1,3-oxazole
SMILESCC1COC(CCCCCCC2=NC(C)CO2)=N1
InChIInChI=1S/C14H24N2O2/c1-11-9-17-13(15-11)7-5-3-4-6-8-14-16-12(2)10-18-14/h11-12H,3-10H2,1-2H3
InChIKeyCEZWWDRSKRZWPU-UHFFFAOYSA-N
XLogP2.96
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 52.96
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-[6-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)hexyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-methyl-2-[6-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)hexyl]-4,5-dihydro-1,3-oxazole (CID 22101630) is 4-methyl-2-[6-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)hexyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-methyl-2-[6-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)hexyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-methyl-2-[6-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)hexyl]-4,5-dihydro-1,3-oxazole is CC1COC(CCCCCCC2=NC(C)CO2)=N1.
What is the InChIKey of 4-methyl-2-[6-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)hexyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is CEZWWDRSKRZWPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O2/c1-11-9-17-13(15-11)7-5-3-4-6-8-14-16-12(2)10-18-14/h11-12H,3-10H2,1-2H3.
What are the key properties of 4-methyl-2-[6-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)hexyl]-4,5-dihydro-1,3-oxazole?
4-methyl-2-[6-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)hexyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 252.36 g/mol, XLogP of 2.96, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[6-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)hexyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 22101630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).