4-methyl-2-[8-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)octyl]-4,5-dihydro-1,3-oxazole

C16H28N2O2 — CID 22101627

IUPAC4-methyl-2-[8-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)octyl]-4,5-dihydro-1,3-oxazole
SMILESCC1COC(CCCCCCCCC2=NC(C)CO2)=N1
InChIInChI=1S/C16H28N2O2/c1-13-11-19-15(17-13)9-7-5-3-4-6-8-10-16-18-14(2)12-20-16/h13-14H,3-12H2,1-2H3
InChIKeyNHRIBMRPZFXEOQ-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.74
Rot. Bonds9

About 4-methyl-2-[8-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)octyl]-4,5-dihydro-1,3-oxazole

4-methyl-2-[8-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)octyl]-4,5-dihydro-1,3-oxazole (PubChem CID 22101627) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 4-methyl-2-[8-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)octyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-methyl-2-[8-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)octyl]-4,5-dihydro-1,3-oxazole
PubChem CID22101627
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name4-methyl-2-[8-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)octyl]-4,5-dihydro-1,3-oxazole
SMILESCC1COC(CCCCCCCCC2=NC(C)CO2)=N1
InChIInChI=1S/C16H28N2O2/c1-13-11-19-15(17-13)9-7-5-3-4-6-8-10-16-18-14(2)12-20-16/h13-14H,3-12H2,1-2H3
InChIKeyNHRIBMRPZFXEOQ-UHFFFAOYSA-N
XLogP3.74
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.74
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-[8-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)octyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-methyl-2-[8-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)octyl]-4,5-dihydro-1,3-oxazole (CID 22101627) is 4-methyl-2-[8-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)octyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-methyl-2-[8-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)octyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-methyl-2-[8-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)octyl]-4,5-dihydro-1,3-oxazole is CC1COC(CCCCCCCCC2=NC(C)CO2)=N1.
What is the InChIKey of 4-methyl-2-[8-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)octyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is NHRIBMRPZFXEOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-13-11-19-15(17-13)9-7-5-3-4-6-8-10-16-18-14(2)12-20-16/h13-14H,3-12H2,1-2H3.
What are the key properties of 4-methyl-2-[8-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)octyl]-4,5-dihydro-1,3-oxazole?
4-methyl-2-[8-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)octyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 280.41 g/mol, XLogP of 3.74, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[8-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)octyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 22101627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).