3-methyl-5-(7-phenoxyheptyl)-1,2-oxazole

C17H23NO2 — CID 5271206

IUPAC3-methyl-5-(7-phenoxyheptyl)-1,2-oxazole
SMILESCc1cc(CCCCCCCOc2ccccc2)on1
InChIInChI=1S/C17H23NO2/c1-15-14-17(20-18-15)12-6-3-2-4-9-13-19-16-10-7-5-8-11-16/h5,7-8,10-11,14H,2-4,6,9,12-13H2,1H3
InChIKeyXARXXZGSUGPZTQ-UHFFFAOYSA-N
MW273.38 g/mol
LogP4.56
Rot. Bonds9

About 3-methyl-5-(7-phenoxyheptyl)-1,2-oxazole

3-methyl-5-(7-phenoxyheptyl)-1,2-oxazole (PubChem CID 5271206) has the molecular formula C17H23NO2 and a molecular weight of 273.38 g/mol. Its IUPAC name is 3-methyl-5-(7-phenoxyheptyl)-1,2-oxazole.

Molecular Properties

Compound Name3-methyl-5-(7-phenoxyheptyl)-1,2-oxazole
PubChem CID5271206
Molecular FormulaC17H23NO2
Molecular Weight273.38 g/mol
Exact Mass273.17
IUPAC Name3-methyl-5-(7-phenoxyheptyl)-1,2-oxazole
SMILESCc1cc(CCCCCCCOc2ccccc2)on1
InChIInChI=1S/C17H23NO2/c1-15-14-17(20-18-15)12-6-3-2-4-9-13-19-16-10-7-5-8-11-16/h5,7-8,10-11,14H,2-4,6,9,12-13H2,1H3
InChIKeyXARXXZGSUGPZTQ-UHFFFAOYSA-N
XLogP4.56
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 54.56
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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Related Compounds

Disoxaril
CID 55717
Win 52035
CID 1786
Win 56590
CID 3082640
Isoxazole, 5-(7-(4-(4,5-dihydro-4-methyl-2-oxazolyl)phenoxy)heptyl)-3-methyl-
CID 1790
3-methyl-5-(7-(4-((4R)-4-methyl-4,5-dihydro-1,3-oxazol-2-yl)phenoxy)heptyl)-1,2-oxazole
CID 5272139
5-(5-(4-(5-Hydro-4-methyl-2-oxazolyl)phenoxy)pentyl)-3-methyl isoxazole
CID 5289566
5-[(4-Fluorophenoxy)methyl]-3-phenyl-1,2-oxazole
CID 1480817
3-Methyl-5-[5-[4-(4-methyl-4,5-dihydrooxazol-2-yl)phenoxy]pentyl]isoxazole
CID 1787
Compound III(S)
CID 441049
Isoxazole, 5-(7-(4-(4,5-dihydro-4,4-dimethyl-2-oxazolyl)phenoxy)heptyl)-3-methyl-
CID 515336
Isoxazole, 5-(7-(2-chloro-4-methoxyphenoxy)heptyl)-3-methyl-
CID 5271184
Isoxazole, 5-(5-(4-(4,5-dihydro-2-oxazolyl)-2-fluorophenoxy)pentyl)-3-methyl-
CID 5271222

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(7-phenoxyheptyl)-1,2-oxazole?
The IUPAC name of 3-methyl-5-(7-phenoxyheptyl)-1,2-oxazole (CID 5271206) is 3-methyl-5-(7-phenoxyheptyl)-1,2-oxazole.
What is the SMILES notation for 3-methyl-5-(7-phenoxyheptyl)-1,2-oxazole?
The canonical SMILES for 3-methyl-5-(7-phenoxyheptyl)-1,2-oxazole is Cc1cc(CCCCCCCOc2ccccc2)on1.
What is the InChIKey of 3-methyl-5-(7-phenoxyheptyl)-1,2-oxazole?
The InChIKey is XARXXZGSUGPZTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23NO2/c1-15-14-17(20-18-15)12-6-3-2-4-9-13-19-16-10-7-5-8-11-16/h5,7-8,10-11,14H,2-4,6,9,12-13H2,1H3.
What are the key properties of 3-methyl-5-(7-phenoxyheptyl)-1,2-oxazole?
3-methyl-5-(7-phenoxyheptyl)-1,2-oxazole has a molecular weight of 273.38 g/mol, XLogP of 4.56, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(7-phenoxyheptyl)-1,2-oxazole is sourced from PubChem (CID 5271206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).