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

C15H24N2O4 — CID 79482082

IUPACethyl 4-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentanoate
SMILESCCOC(=O)C(CC(C)C)c1nc(C2CCOCC2)no1
InChIInChI=1S/C15H24N2O4/c1-4-20-15(18)12(9-10(2)3)14-16-13(17-21-14)11-5-7-19-8-6-11/h10-12H,4-9H2,1-3H3
InChIKeySAPJTGAYCGPMBQ-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.66
Rot. Bonds6

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

ethyl 4-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentanoate (PubChem CID 79482082) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is ethyl 4-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentanoate.

Molecular Properties

Compound Nameethyl 4-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentanoate
PubChem CID79482082
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Nameethyl 4-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentanoate
SMILESCCOC(=O)C(CC(C)C)c1nc(C2CCOCC2)no1
InChIInChI=1S/C15H24N2O4/c1-4-20-15(18)12(9-10(2)3)14-16-13(17-21-14)11-5-7-19-8-6-11/h10-12H,4-9H2,1-3H3
InChIKeySAPJTGAYCGPMBQ-UHFFFAOYSA-N
XLogP2.66
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 4-methyl-2-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]pentanoate
CID 79475005
ethyl 2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-4-methylpentanoate
CID 79481205
3-methyl-1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 65329040
ethyl 2-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]butanoate
CID 79474608
ethyl 3-methyl-2-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butanoate
CID 79481673
ethyl 2-[3-(thian-2-yl)-1,2,4-oxadiazol-5-yl]butanoate
CID 80620640
ethyl 4-methyl-2-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]pentanoate
CID 79475320
ethyl 4-methyl-2-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]pentanoate
CID 79475476
ethyl 1-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 79471725
N-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 65334208
2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]-1-phenylpropan-1-one
CID 104847279
ethyl 4-methyl-2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]pentanoate
CID 104789036

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentanoate?
The IUPAC name of ethyl 4-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentanoate (CID 79482082) is ethyl 4-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentanoate.
What is the SMILES notation for ethyl 4-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentanoate?
The canonical SMILES for ethyl 4-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentanoate is CCOC(=O)C(CC(C)C)c1nc(C2CCOCC2)no1.
What is the InChIKey of ethyl 4-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentanoate?
The InChIKey is SAPJTGAYCGPMBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-4-20-15(18)12(9-10(2)3)14-16-13(17-21-14)11-5-7-19-8-6-11/h10-12H,4-9H2,1-3H3.
What are the key properties of ethyl 4-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentanoate?
ethyl 4-methyl-2-[3-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentanoate has a molecular weight of 296.37 g/mol, XLogP of 2.66, 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-(oxan-4-yl)-1,2,4-oxadiazol-5-yl]pentanoate is sourced from PubChem (CID 79482082), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).