5-(2-methoxyethoxymethyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole

C10H17N3O3 — CID 86820512

IUPAC5-(2-methoxyethoxymethyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESCOCCOCc1nc(C2CCCN2)no1
InChIInChI=1S/C10H17N3O3/c1-14-5-6-15-7-9-12-10(13-16-9)8-3-2-4-11-8/h8,11H,2-7H2,1H3
InChIKeyOQPCCGXVBHPIKS-UHFFFAOYSA-N
MW227.26 g/mol
LogP0.66
Rot. Bonds6

About 5-(2-methoxyethoxymethyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole

5-(2-methoxyethoxymethyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole (PubChem CID 86820512) has the molecular formula C10H17N3O3 and a molecular weight of 227.26 g/mol. Its IUPAC name is 5-(2-methoxyethoxymethyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-methoxyethoxymethyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
PubChem CID86820512
Molecular FormulaC10H17N3O3
Molecular Weight227.26 g/mol
Exact Mass227.13
IUPAC Name5-(2-methoxyethoxymethyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESCOCCOCc1nc(C2CCCN2)no1
InChIInChI=1S/C10H17N3O3/c1-14-5-6-15-7-9-12-10(13-16-9)8-3-2-4-11-8/h8,11H,2-7H2,1H3
InChIKeyOQPCCGXVBHPIKS-UHFFFAOYSA-N
XLogP0.66
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.26
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxyethoxymethyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(2-methoxyethoxymethyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole (CID 86820512) is 5-(2-methoxyethoxymethyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-methoxyethoxymethyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-methoxyethoxymethyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole is COCCOCc1nc(C2CCCN2)no1.
What is the InChIKey of 5-(2-methoxyethoxymethyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The InChIKey is OQPCCGXVBHPIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O3/c1-14-5-6-15-7-9-12-10(13-16-9)8-3-2-4-11-8/h8,11H,2-7H2,1H3.
What are the key properties of 5-(2-methoxyethoxymethyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
5-(2-methoxyethoxymethyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole has a molecular weight of 227.26 g/mol, XLogP of 0.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxyethoxymethyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 86820512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).