methyl 2-[3-(2-ethoxypropoxy)-4-fluoro-1,2-oxazol-5-yl]-3-methylbutanoate

C14H22FNO5 — CID 158950532

IUPACmethyl 2-[3-(2-ethoxypropoxy)-4-fluoro-1,2-oxazol-5-yl]-3-methylbutanoate
SMILESCCOC(C)COc1noc(C(C(=O)OC)C(C)C)c1F
InChIInChI=1S/C14H22FNO5/c1-6-19-9(4)7-20-13-11(15)12(21-16-13)10(8(2)3)14(17)18-5/h8-10H,6-7H2,1-5H3
InChIKeyXJAGBWKWNWKEHJ-UHFFFAOYSA-N
MW303.33 g/mol
LogP2.53
Rot. Bonds8

About methyl 2-[3-(2-ethoxypropoxy)-4-fluoro-1,2-oxazol-5-yl]-3-methylbutanoate

methyl 2-[3-(2-ethoxypropoxy)-4-fluoro-1,2-oxazol-5-yl]-3-methylbutanoate (PubChem CID 158950532) has the molecular formula C14H22FNO5 and a molecular weight of 303.33 g/mol. Its IUPAC name is methyl 2-[3-(2-ethoxypropoxy)-4-fluoro-1,2-oxazol-5-yl]-3-methylbutanoate.

Molecular Properties

Compound Namemethyl 2-[3-(2-ethoxypropoxy)-4-fluoro-1,2-oxazol-5-yl]-3-methylbutanoate
PubChem CID158950532
Molecular FormulaC14H22FNO5
Molecular Weight303.33 g/mol
Exact Mass303.15
IUPAC Namemethyl 2-[3-(2-ethoxypropoxy)-4-fluoro-1,2-oxazol-5-yl]-3-methylbutanoate
SMILESCCOC(C)COc1noc(C(C(=O)OC)C(C)C)c1F
InChIInChI=1S/C14H22FNO5/c1-6-19-9(4)7-20-13-11(15)12(21-16-13)10(8(2)3)14(17)18-5/h8-10H,6-7H2,1-5H3
InChIKeyXJAGBWKWNWKEHJ-UHFFFAOYSA-N
XLogP2.53
TPSA70.79 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.33
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[3-(2-ethoxypropoxy)-4-fluoro-1,2-oxazol-5-yl]-3-methylbutanoate?
The IUPAC name of methyl 2-[3-(2-ethoxypropoxy)-4-fluoro-1,2-oxazol-5-yl]-3-methylbutanoate (CID 158950532) is methyl 2-[3-(2-ethoxypropoxy)-4-fluoro-1,2-oxazol-5-yl]-3-methylbutanoate.
What is the SMILES notation for methyl 2-[3-(2-ethoxypropoxy)-4-fluoro-1,2-oxazol-5-yl]-3-methylbutanoate?
The canonical SMILES for methyl 2-[3-(2-ethoxypropoxy)-4-fluoro-1,2-oxazol-5-yl]-3-methylbutanoate is CCOC(C)COc1noc(C(C(=O)OC)C(C)C)c1F.
What is the InChIKey of methyl 2-[3-(2-ethoxypropoxy)-4-fluoro-1,2-oxazol-5-yl]-3-methylbutanoate?
The InChIKey is XJAGBWKWNWKEHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO5/c1-6-19-9(4)7-20-13-11(15)12(21-16-13)10(8(2)3)14(17)18-5/h8-10H,6-7H2,1-5H3.
What are the key properties of methyl 2-[3-(2-ethoxypropoxy)-4-fluoro-1,2-oxazol-5-yl]-3-methylbutanoate?
methyl 2-[3-(2-ethoxypropoxy)-4-fluoro-1,2-oxazol-5-yl]-3-methylbutanoate has a molecular weight of 303.33 g/mol, XLogP of 2.53, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[3-(2-ethoxypropoxy)-4-fluoro-1,2-oxazol-5-yl]-3-methylbutanoate is sourced from PubChem (CID 158950532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).