1-[[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid

C14H22N2O4 — CID 116704774

IUPAC1-[[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid
SMILESCCOC(CC)c1noc(CC2(C(=O)O)CCCC2)n1
InChIInChI=1S/C14H22N2O4/c1-3-10(19-4-2)12-15-11(20-16-12)9-14(13(17)18)7-5-6-8-14/h10H,3-9H2,1-2H3,(H,17,18)
InChIKeyVGIKMTZQKAKFNN-UHFFFAOYSA-N
MW282.34 g/mol
LogP2.74
Rot. Bonds7

About 1-[[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid

1-[[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid (PubChem CID 116704774) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is 1-[[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid
PubChem CID116704774
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC Name1-[[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid
SMILESCCOC(CC)c1noc(CC2(C(=O)O)CCCC2)n1
InChIInChI=1S/C14H22N2O4/c1-3-10(19-4-2)12-15-11(20-16-12)9-14(13(17)18)7-5-6-8-14/h10H,3-9H2,1-2H3,(H,17,18)
InChIKeyVGIKMTZQKAKFNN-UHFFFAOYSA-N
XLogP2.74
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid (CID 116704774) is 1-[[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid is CCOC(CC)c1noc(CC2(C(=O)O)CCCC2)n1.
What is the InChIKey of 1-[[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is VGIKMTZQKAKFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-3-10(19-4-2)12-15-11(20-16-12)9-14(13(17)18)7-5-6-8-14/h10H,3-9H2,1-2H3,(H,17,18).
What are the key properties of 1-[[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid?
1-[[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 282.34 g/mol, XLogP of 2.74, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 116704774), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).