3-(pyrrolidin-2-ylmethoxymethyl)-1,2,4-oxadiazole

C8H13N3O2 — CID 62333235

IUPAC3-(pyrrolidin-2-ylmethoxymethyl)-1,2,4-oxadiazole
SMILESc1nc(COCC2CCCN2)no1
InChIInChI=1S/C8H13N3O2/c1-2-7(9-3-1)4-12-5-8-10-6-13-11-8/h6-7,9H,1-5H2
InChIKeyAURIUVAULVCDGY-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.34
Rot. Bonds4

About 3-(pyrrolidin-2-ylmethoxymethyl)-1,2,4-oxadiazole

3-(pyrrolidin-2-ylmethoxymethyl)-1,2,4-oxadiazole (PubChem CID 62333235) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3-(pyrrolidin-2-ylmethoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(pyrrolidin-2-ylmethoxymethyl)-1,2,4-oxadiazole
PubChem CID62333235
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name3-(pyrrolidin-2-ylmethoxymethyl)-1,2,4-oxadiazole
SMILESc1nc(COCC2CCCN2)no1
InChIInChI=1S/C8H13N3O2/c1-2-7(9-3-1)4-12-5-8-10-6-13-11-8/h6-7,9H,1-5H2
InChIKeyAURIUVAULVCDGY-UHFFFAOYSA-N
XLogP0.34
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(pyrrolidin-2-ylmethoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(pyrrolidin-2-ylmethoxymethyl)-1,2,4-oxadiazole (CID 62333235) is 3-(pyrrolidin-2-ylmethoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(pyrrolidin-2-ylmethoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(pyrrolidin-2-ylmethoxymethyl)-1,2,4-oxadiazole is c1nc(COCC2CCCN2)no1.
What is the InChIKey of 3-(pyrrolidin-2-ylmethoxymethyl)-1,2,4-oxadiazole?
The InChIKey is AURIUVAULVCDGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-2-7(9-3-1)4-12-5-8-10-6-13-11-8/h6-7,9H,1-5H2.
What are the key properties of 3-(pyrrolidin-2-ylmethoxymethyl)-1,2,4-oxadiazole?
3-(pyrrolidin-2-ylmethoxymethyl)-1,2,4-oxadiazole has a molecular weight of 183.21 g/mol, XLogP of 0.34, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(pyrrolidin-2-ylmethoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 62333235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).