methyl 5-(4,5-dimethyl-1,2-oxazol-3-yl)-8-methoxyoctanoate

C15H25NO4 — CID 71127303

IUPACmethyl 5-(4,5-dimethyl-1,2-oxazol-3-yl)-8-methoxyoctanoate
SMILESCOCCCC(CCCC(=O)OC)c1noc(C)c1C
InChIInChI=1S/C15H25NO4/c1-11-12(2)20-16-15(11)13(8-6-10-18-3)7-5-9-14(17)19-4/h13H,5-10H2,1-4H3
InChIKeySANRLWGENCZVEF-UHFFFAOYSA-N
MW283.37 g/mol
LogP3.14
Rot. Bonds9

About methyl 5-(4,5-dimethyl-1,2-oxazol-3-yl)-8-methoxyoctanoate

methyl 5-(4,5-dimethyl-1,2-oxazol-3-yl)-8-methoxyoctanoate (PubChem CID 71127303) has the molecular formula C15H25NO4 and a molecular weight of 283.37 g/mol. Its IUPAC name is methyl 5-(4,5-dimethyl-1,2-oxazol-3-yl)-8-methoxyoctanoate.

Molecular Properties

Compound Namemethyl 5-(4,5-dimethyl-1,2-oxazol-3-yl)-8-methoxyoctanoate
PubChem CID71127303
Molecular FormulaC15H25NO4
Molecular Weight283.37 g/mol
Exact Mass283.18
IUPAC Namemethyl 5-(4,5-dimethyl-1,2-oxazol-3-yl)-8-methoxyoctanoate
SMILESCOCCCC(CCCC(=O)OC)c1noc(C)c1C
InChIInChI=1S/C15H25NO4/c1-11-12(2)20-16-15(11)13(8-6-10-18-3)7-5-9-14(17)19-4/h13H,5-10H2,1-4H3
InChIKeySANRLWGENCZVEF-UHFFFAOYSA-N
XLogP3.14
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.37
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 methyl 5-(4,5-dimethyl-1,2-oxazol-3-yl)-8-methoxyoctanoate?
The IUPAC name of methyl 5-(4,5-dimethyl-1,2-oxazol-3-yl)-8-methoxyoctanoate (CID 71127303) is methyl 5-(4,5-dimethyl-1,2-oxazol-3-yl)-8-methoxyoctanoate.
What is the SMILES notation for methyl 5-(4,5-dimethyl-1,2-oxazol-3-yl)-8-methoxyoctanoate?
The canonical SMILES for methyl 5-(4,5-dimethyl-1,2-oxazol-3-yl)-8-methoxyoctanoate is COCCCC(CCCC(=O)OC)c1noc(C)c1C.
What is the InChIKey of methyl 5-(4,5-dimethyl-1,2-oxazol-3-yl)-8-methoxyoctanoate?
The InChIKey is SANRLWGENCZVEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25NO4/c1-11-12(2)20-16-15(11)13(8-6-10-18-3)7-5-9-14(17)19-4/h13H,5-10H2,1-4H3.
What are the key properties of methyl 5-(4,5-dimethyl-1,2-oxazol-3-yl)-8-methoxyoctanoate?
methyl 5-(4,5-dimethyl-1,2-oxazol-3-yl)-8-methoxyoctanoate has a molecular weight of 283.37 g/mol, XLogP of 3.14, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-(4,5-dimethyl-1,2-oxazol-3-yl)-8-methoxyoctanoate is sourced from PubChem (CID 71127303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).