ethyl 4-methyl-2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]pentanoate

C15H20N2O4 — CID 104789036

IUPACethyl 4-methyl-2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]pentanoate
SMILESCCOC(=O)C(CC(C)C)c1nc(-c2ccoc2C)no1
InChIInChI=1S/C15H20N2O4/c1-5-19-15(18)12(8-9(2)3)14-16-13(17-21-14)11-6-7-20-10(11)4/h6-7,9,12H,5,8H2,1-4H3
InChIKeyKJFUNUVHYVRVTA-UHFFFAOYSA-N
MW292.34 g/mol
LogP3.33
Rot. Bonds6

About ethyl 4-methyl-2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]pentanoate

ethyl 4-methyl-2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]pentanoate (PubChem CID 104789036) has the molecular formula C15H20N2O4 and a molecular weight of 292.34 g/mol. Its IUPAC name is ethyl 4-methyl-2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]pentanoate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]pentanoate
PubChem CID104789036
Molecular FormulaC15H20N2O4
Molecular Weight292.34 g/mol
Exact Mass292.14
IUPAC Nameethyl 4-methyl-2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]pentanoate
SMILESCCOC(=O)C(CC(C)C)c1nc(-c2ccoc2C)no1
InChIInChI=1S/C15H20N2O4/c1-5-19-15(18)12(8-9(2)3)14-16-13(17-21-14)11-6-7-20-10(11)4/h6-7,9,12H,5,8H2,1-4H3
InChIKeyKJFUNUVHYVRVTA-UHFFFAOYSA-N
XLogP3.33
TPSA78.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.34
LogP ≤ 53.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]pentanoate?
The IUPAC name of ethyl 4-methyl-2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]pentanoate (CID 104789036) is ethyl 4-methyl-2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]pentanoate.
What is the SMILES notation for ethyl 4-methyl-2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]pentanoate?
The canonical SMILES for ethyl 4-methyl-2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]pentanoate is CCOC(=O)C(CC(C)C)c1nc(-c2ccoc2C)no1.
What is the InChIKey of ethyl 4-methyl-2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]pentanoate?
The InChIKey is KJFUNUVHYVRVTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4/c1-5-19-15(18)12(8-9(2)3)14-16-13(17-21-14)11-6-7-20-10(11)4/h6-7,9,12H,5,8H2,1-4H3.
What are the key properties of ethyl 4-methyl-2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]pentanoate?
ethyl 4-methyl-2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]pentanoate has a molecular weight of 292.34 g/mol, XLogP of 3.33, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]pentanoate is sourced from PubChem (CID 104789036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).