methyl 2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-2-cyclopentylacetate

C14H22N2O3 — CID 112569150

IUPACmethyl 2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-2-cyclopentylacetate
SMILESCCC(C)c1noc(C(C(=O)OC)C2CCCC2)n1
InChIInChI=1S/C14H22N2O3/c1-4-9(2)12-15-13(19-16-12)11(14(17)18-3)10-7-5-6-8-10/h9-11H,4-8H2,1-3H3
InChIKeyYPDCOTXDTNNFLD-UHFFFAOYSA-N
MW266.34 g/mol
LogP3.03
Rot. Bonds5

About methyl 2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-2-cyclopentylacetate

methyl 2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-2-cyclopentylacetate (PubChem CID 112569150) has the molecular formula C14H22N2O3 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl 2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-2-cyclopentylacetate.

Molecular Properties

Compound Namemethyl 2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-2-cyclopentylacetate
PubChem CID112569150
Molecular FormulaC14H22N2O3
Molecular Weight266.34 g/mol
Exact Mass266.16
IUPAC Namemethyl 2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-2-cyclopentylacetate
SMILESCCC(C)c1noc(C(C(=O)OC)C2CCCC2)n1
InChIInChI=1S/C14H22N2O3/c1-4-9(2)12-15-13(19-16-12)11(14(17)18-3)10-7-5-6-8-10/h9-11H,4-8H2,1-3H3
InChIKeyYPDCOTXDTNNFLD-UHFFFAOYSA-N
XLogP3.03
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-2-cyclopentylacetate?
The IUPAC name of methyl 2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-2-cyclopentylacetate (CID 112569150) is methyl 2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-2-cyclopentylacetate.
What is the SMILES notation for methyl 2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-2-cyclopentylacetate?
The canonical SMILES for methyl 2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-2-cyclopentylacetate is CCC(C)c1noc(C(C(=O)OC)C2CCCC2)n1.
What is the InChIKey of methyl 2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-2-cyclopentylacetate?
The InChIKey is YPDCOTXDTNNFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3/c1-4-9(2)12-15-13(19-16-12)11(14(17)18-3)10-7-5-6-8-10/h9-11H,4-8H2,1-3H3.
What are the key properties of methyl 2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-2-cyclopentylacetate?
methyl 2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-2-cyclopentylacetate has a molecular weight of 266.34 g/mol, XLogP of 3.03, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-(3-butan-2-yl-1,2,4-oxadiazol-5-yl)-2-cyclopentylacetate is sourced from PubChem (CID 112569150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).