4-(4,5-dimethyl-1,2-oxazol-3-yl)-8-methoxy-8-oxooctanoic acid

C14H21NO5 — CID 71127304

IUPAC4-(4,5-dimethyl-1,2-oxazol-3-yl)-8-methoxy-8-oxooctanoic acid
SMILESCOC(=O)CCCC(CCC(=O)O)c1noc(C)c1C
InChIInChI=1S/C14H21NO5/c1-9-10(2)20-15-14(9)11(7-8-12(16)17)5-4-6-13(18)19-3/h11H,4-8H2,1-3H3,(H,16,17)
InChIKeyLSDJBWPVPDYURH-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.58
Rot. Bonds8

About 4-(4,5-dimethyl-1,2-oxazol-3-yl)-8-methoxy-8-oxooctanoic acid

4-(4,5-dimethyl-1,2-oxazol-3-yl)-8-methoxy-8-oxooctanoic acid (PubChem CID 71127304) has the molecular formula C14H21NO5 and a molecular weight of 283.32 g/mol. Its IUPAC name is 4-(4,5-dimethyl-1,2-oxazol-3-yl)-8-methoxy-8-oxooctanoic acid.

Molecular Properties

Compound Name4-(4,5-dimethyl-1,2-oxazol-3-yl)-8-methoxy-8-oxooctanoic acid
PubChem CID71127304
Molecular FormulaC14H21NO5
Molecular Weight283.32 g/mol
Exact Mass283.14
IUPAC Name4-(4,5-dimethyl-1,2-oxazol-3-yl)-8-methoxy-8-oxooctanoic acid
SMILESCOC(=O)CCCC(CCC(=O)O)c1noc(C)c1C
InChIInChI=1S/C14H21NO5/c1-9-10(2)20-15-14(9)11(7-8-12(16)17)5-4-6-13(18)19-3/h11H,4-8H2,1-3H3,(H,16,17)
InChIKeyLSDJBWPVPDYURH-UHFFFAOYSA-N
XLogP2.58
TPSA89.63 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dimethyl-1,2-oxazol-3-yl)-8-methoxy-8-oxooctanoic acid?
The IUPAC name of 4-(4,5-dimethyl-1,2-oxazol-3-yl)-8-methoxy-8-oxooctanoic acid (CID 71127304) is 4-(4,5-dimethyl-1,2-oxazol-3-yl)-8-methoxy-8-oxooctanoic acid.
What is the SMILES notation for 4-(4,5-dimethyl-1,2-oxazol-3-yl)-8-methoxy-8-oxooctanoic acid?
The canonical SMILES for 4-(4,5-dimethyl-1,2-oxazol-3-yl)-8-methoxy-8-oxooctanoic acid is COC(=O)CCCC(CCC(=O)O)c1noc(C)c1C.
What is the InChIKey of 4-(4,5-dimethyl-1,2-oxazol-3-yl)-8-methoxy-8-oxooctanoic acid?
The InChIKey is LSDJBWPVPDYURH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO5/c1-9-10(2)20-15-14(9)11(7-8-12(16)17)5-4-6-13(18)19-3/h11H,4-8H2,1-3H3,(H,16,17).
What are the key properties of 4-(4,5-dimethyl-1,2-oxazol-3-yl)-8-methoxy-8-oxooctanoic acid?
4-(4,5-dimethyl-1,2-oxazol-3-yl)-8-methoxy-8-oxooctanoic acid has a molecular weight of 283.32 g/mol, XLogP of 2.58, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dimethyl-1,2-oxazol-3-yl)-8-methoxy-8-oxooctanoic acid is sourced from PubChem (CID 71127304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).