2-(7-methoxyheptyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole

C14H27NO2 — CID 175146298

IUPAC2-(7-methoxyheptyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCOCCCCCCCC1=NC(C(C)C)CO1
InChIInChI=1S/C14H27NO2/c1-12(2)13-11-17-14(15-13)9-7-5-4-6-8-10-16-3/h12-13H,4-11H2,1-3H3
InChIKeyYXDLDUQXDOYXPL-UHFFFAOYSA-N
MW241.37 g/mol
LogP3.43
Rot. Bonds9

About 2-(7-methoxyheptyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole

2-(7-methoxyheptyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole (PubChem CID 175146298) has the molecular formula C14H27NO2 and a molecular weight of 241.37 g/mol. Its IUPAC name is 2-(7-methoxyheptyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(7-methoxyheptyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
PubChem CID175146298
Molecular FormulaC14H27NO2
Molecular Weight241.37 g/mol
Exact Mass241.20
IUPAC Name2-(7-methoxyheptyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
SMILESCOCCCCCCCC1=NC(C(C)C)CO1
InChIInChI=1S/C14H27NO2/c1-12(2)13-11-17-14(15-13)9-7-5-4-6-8-10-16-3/h12-13H,4-11H2,1-3H3
InChIKeyYXDLDUQXDOYXPL-UHFFFAOYSA-N
XLogP3.43
TPSA30.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.37
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 2-(7-methoxyheptyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(7-methoxyheptyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole (CID 175146298) is 2-(7-methoxyheptyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(7-methoxyheptyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(7-methoxyheptyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole is COCCCCCCCC1=NC(C(C)C)CO1.
What is the InChIKey of 2-(7-methoxyheptyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
The InChIKey is YXDLDUQXDOYXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27NO2/c1-12(2)13-11-17-14(15-13)9-7-5-4-6-8-10-16-3/h12-13H,4-11H2,1-3H3.
What are the key properties of 2-(7-methoxyheptyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole?
2-(7-methoxyheptyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole has a molecular weight of 241.37 g/mol, XLogP of 3.43, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7-methoxyheptyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 175146298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).