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

C16H28N2O2 — CID 57203986

IUPAC4-methyl-2-[2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)octan-2-yl]-4,5-dihydro-1,3-oxazole
SMILESCCCCCCC(C)(C1=NC(C)CO1)C1=NC(C)CO1
InChIInChI=1S/C16H28N2O2/c1-5-6-7-8-9-16(4,14-17-12(2)10-19-14)15-18-13(3)11-20-15/h12-13H,5-11H2,1-4H3
InChIKeySWUJQYGMYUWKOY-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.60
Rot. Bonds7

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

4-methyl-2-[2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)octan-2-yl]-4,5-dihydro-1,3-oxazole (PubChem CID 57203986) has the molecular formula C16H28N2O2 and a molecular weight of 280.41 g/mol. Its IUPAC name is 4-methyl-2-[2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)octan-2-yl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name4-methyl-2-[2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)octan-2-yl]-4,5-dihydro-1,3-oxazole
PubChem CID57203986
Molecular FormulaC16H28N2O2
Molecular Weight280.41 g/mol
Exact Mass280.22
IUPAC Name4-methyl-2-[2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)octan-2-yl]-4,5-dihydro-1,3-oxazole
SMILESCCCCCCC(C)(C1=NC(C)CO1)C1=NC(C)CO1
InChIInChI=1S/C16H28N2O2/c1-5-6-7-8-9-16(4,14-17-12(2)10-19-14)15-18-13(3)11-20-15/h12-13H,5-11H2,1-4H3
InChIKeySWUJQYGMYUWKOY-UHFFFAOYSA-N
XLogP3.60
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.60
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-[2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)octan-2-yl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of 4-methyl-2-[2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)octan-2-yl]-4,5-dihydro-1,3-oxazole (CID 57203986) is 4-methyl-2-[2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)octan-2-yl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 4-methyl-2-[2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)octan-2-yl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 4-methyl-2-[2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)octan-2-yl]-4,5-dihydro-1,3-oxazole is CCCCCCC(C)(C1=NC(C)CO1)C1=NC(C)CO1.
What is the InChIKey of 4-methyl-2-[2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)octan-2-yl]-4,5-dihydro-1,3-oxazole?
The InChIKey is SWUJQYGMYUWKOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N2O2/c1-5-6-7-8-9-16(4,14-17-12(2)10-19-14)15-18-13(3)11-20-15/h12-13H,5-11H2,1-4H3.
What are the key properties of 4-methyl-2-[2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)octan-2-yl]-4,5-dihydro-1,3-oxazole?
4-methyl-2-[2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)octan-2-yl]-4,5-dihydro-1,3-oxazole has a molecular weight of 280.41 g/mol, XLogP of 3.60, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[2-(4-methyl-4,5-dihydro-1,3-oxazol-2-yl)octan-2-yl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 57203986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).