2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-ethylcyclopentane-1-carboxylic acid

C15H24N2O4 — CID 114513069

IUPAC2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-ethylcyclopentane-1-carboxylic acid
SMILESCCOC(C)(C)c1noc(C2CC(CC)CC2C(=O)O)n1
InChIInChI=1S/C15H24N2O4/c1-5-9-7-10(11(8-9)13(18)19)12-16-14(17-21-12)15(3,4)20-6-2/h9-11H,5-8H2,1-4H3,(H,18,19)
InChIKeyBCQBCXWUYQSYAC-UHFFFAOYSA-N
MW296.37 g/mol
LogP2.95
Rot. Bonds6

About 2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-ethylcyclopentane-1-carboxylic acid

2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-ethylcyclopentane-1-carboxylic acid (PubChem CID 114513069) has the molecular formula C15H24N2O4 and a molecular weight of 296.37 g/mol. Its IUPAC name is 2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-ethylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-ethylcyclopentane-1-carboxylic acid
PubChem CID114513069
Molecular FormulaC15H24N2O4
Molecular Weight296.37 g/mol
Exact Mass296.17
IUPAC Name2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-ethylcyclopentane-1-carboxylic acid
SMILESCCOC(C)(C)c1noc(C2CC(CC)CC2C(=O)O)n1
InChIInChI=1S/C15H24N2O4/c1-5-9-7-10(11(8-9)13(18)19)12-16-14(17-21-12)15(3,4)20-6-2/h9-11H,5-8H2,1-4H3,(H,18,19)
InChIKeyBCQBCXWUYQSYAC-UHFFFAOYSA-N
XLogP2.95
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.37
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-ethylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-ethylcyclopentane-1-carboxylic acid (CID 114513069) is 2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-ethylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-ethylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-ethylcyclopentane-1-carboxylic acid is CCOC(C)(C)c1noc(C2CC(CC)CC2C(=O)O)n1.
What is the InChIKey of 2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-ethylcyclopentane-1-carboxylic acid?
The InChIKey is BCQBCXWUYQSYAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O4/c1-5-9-7-10(11(8-9)13(18)19)12-16-14(17-21-12)15(3,4)20-6-2/h9-11H,5-8H2,1-4H3,(H,18,19).
What are the key properties of 2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-ethylcyclopentane-1-carboxylic acid?
2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-ethylcyclopentane-1-carboxylic acid has a molecular weight of 296.37 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-ethylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 114513069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).