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

C12H18N2O4 — CID 61412293

IUPAC1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid
SMILESCOCCc1noc(CC2(C(=O)O)CCCC2)n1
InChIInChI=1S/C12H18N2O4/c1-17-7-4-9-13-10(18-14-9)8-12(11(15)16)5-2-3-6-12/h2-8H2,1H3,(H,15,16)
InChIKeyMGHLRSQBSKHJES-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.45
Rot. Bonds6

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

1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid (PubChem CID 61412293) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid
PubChem CID61412293
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid
SMILESCOCCc1noc(CC2(C(=O)O)CCCC2)n1
InChIInChI=1S/C12H18N2O4/c1-17-7-4-9-13-10(18-14-9)8-12(11(15)16)5-2-3-6-12/h2-8H2,1H3,(H,15,16)
InChIKeyMGHLRSQBSKHJES-UHFFFAOYSA-N
XLogP1.45
TPSA85.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid?
The IUPAC name of 1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid (CID 61412293) is 1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid.
What is the SMILES notation for 1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid?
The canonical SMILES for 1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid is COCCc1noc(CC2(C(=O)O)CCCC2)n1.
What is the InChIKey of 1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid?
The InChIKey is MGHLRSQBSKHJES-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-17-7-4-9-13-10(18-14-9)8-12(11(15)16)5-2-3-6-12/h2-8H2,1H3,(H,15,16).
What are the key properties of 1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid?
1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid has a molecular weight of 254.29 g/mol, XLogP of 1.45, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclopentane-1-carboxylic acid is sourced from PubChem (CID 61412293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).