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

C14H23NO4 — CID 71127305

IUPACmethyl 5-(4,5-dimethyl-1,2-oxazol-3-yl)-8-hydroxyoctanoate
SMILESCOC(=O)CCCC(CCCO)c1noc(C)c1C
InChIInChI=1S/C14H23NO4/c1-10-11(2)19-15-14(10)12(7-5-9-16)6-4-8-13(17)18-3/h12,16H,4-9H2,1-3H3
InChIKeyZAXNFMCTOFQRAP-UHFFFAOYSA-N
MW269.34 g/mol
LogP2.49
Rot. Bonds8

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

methyl 5-(4,5-dimethyl-1,2-oxazol-3-yl)-8-hydroxyoctanoate (PubChem CID 71127305) has the molecular formula C14H23NO4 and a molecular weight of 269.34 g/mol. Its IUPAC name is methyl 5-(4,5-dimethyl-1,2-oxazol-3-yl)-8-hydroxyoctanoate.

Molecular Properties

Compound Namemethyl 5-(4,5-dimethyl-1,2-oxazol-3-yl)-8-hydroxyoctanoate
PubChem CID71127305
Molecular FormulaC14H23NO4
Molecular Weight269.34 g/mol
Exact Mass269.16
IUPAC Namemethyl 5-(4,5-dimethyl-1,2-oxazol-3-yl)-8-hydroxyoctanoate
SMILESCOC(=O)CCCC(CCCO)c1noc(C)c1C
InChIInChI=1S/C14H23NO4/c1-10-11(2)19-15-14(10)12(7-5-9-16)6-4-8-13(17)18-3/h12,16H,4-9H2,1-3H3
InChIKeyZAXNFMCTOFQRAP-UHFFFAOYSA-N
XLogP2.49
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.34
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 5-(4,5-dimethyl-1,2-oxazol-3-yl)-8-hydroxyoctanoate?
The IUPAC name of methyl 5-(4,5-dimethyl-1,2-oxazol-3-yl)-8-hydroxyoctanoate (CID 71127305) is methyl 5-(4,5-dimethyl-1,2-oxazol-3-yl)-8-hydroxyoctanoate.
What is the SMILES notation for methyl 5-(4,5-dimethyl-1,2-oxazol-3-yl)-8-hydroxyoctanoate?
The canonical SMILES for methyl 5-(4,5-dimethyl-1,2-oxazol-3-yl)-8-hydroxyoctanoate is COC(=O)CCCC(CCCO)c1noc(C)c1C.
What is the InChIKey of methyl 5-(4,5-dimethyl-1,2-oxazol-3-yl)-8-hydroxyoctanoate?
The InChIKey is ZAXNFMCTOFQRAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23NO4/c1-10-11(2)19-15-14(10)12(7-5-9-16)6-4-8-13(17)18-3/h12,16H,4-9H2,1-3H3.
What are the key properties of methyl 5-(4,5-dimethyl-1,2-oxazol-3-yl)-8-hydroxyoctanoate?
methyl 5-(4,5-dimethyl-1,2-oxazol-3-yl)-8-hydroxyoctanoate has a molecular weight of 269.34 g/mol, XLogP of 2.49, 8 rotatable bonds, 1 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-hydroxyoctanoate is sourced from PubChem (CID 71127305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).