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

C8H13N3O2 — CID 66509664

IUPAC2-(methoxymethyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazole
SMILESCOCc1nnc(C2CCCN2)o1
InChIInChI=1S/C8H13N3O2/c1-12-5-7-10-11-8(13-7)6-3-2-4-9-6/h6,9H,2-5H2,1H3
InChIKeyAPMOXKQVEUDTJH-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.64
Rot. Bonds3

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

2-(methoxymethyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazole (PubChem CID 66509664) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 2-(methoxymethyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(methoxymethyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazole
PubChem CID66509664
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name2-(methoxymethyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazole
SMILESCOCc1nnc(C2CCCN2)o1
InChIInChI=1S/C8H13N3O2/c1-12-5-7-10-11-8(13-7)6-3-2-4-9-6/h6,9H,2-5H2,1H3
InChIKeyAPMOXKQVEUDTJH-UHFFFAOYSA-N
XLogP0.64
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(3-methoxyphenyl)methyl]-5-pyrrolidin-2-yl-1,3,4-oxadiazole
CID 82665656
2-(methoxymethyl)-5-(thiolan-2-yl)-1,3,4-oxadiazole
CID 130693373
2-cyclononyl-5-pyrrolidin-2-yl-1,3,4-oxadiazole
CID 123914649
2-tert-butyl-5-[(2S)-piperidin-2-yl]-1,3,4-oxadiazole
CID 96864783
2-propan-2-ylsulfanyl-5-pyrrolidin-2-yl-1,3,4-oxadiazole
CID 4888633
2-(methoxymethyl)-5-(oxolan-3-yl)-1,3,4-oxadiazole
CID 126990027
3-(methoxymethyl)-5-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 94068988
2-penta-1,3-dien-3-yl-5-pyrrolidin-2-yl-1,3,4-oxadiazole
CID 91566589
2-(2-methoxyphenyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazole
CID 22308656
2-cyclobutyl-5-piperidin-2-yl-1,3,4-oxadiazole;hydrochloride
CID 119031517
2,2-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)butanamide
CID 102703341
methyl 3-[(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)sulfamoyl]propanoate
CID 102703727

Frequently Asked Questions

What is the IUPAC name of 2-(methoxymethyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(methoxymethyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazole (CID 66509664) is 2-(methoxymethyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(methoxymethyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(methoxymethyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazole is COCc1nnc(C2CCCN2)o1.
What is the InChIKey of 2-(methoxymethyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazole?
The InChIKey is APMOXKQVEUDTJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-12-5-7-10-11-8(13-7)6-3-2-4-9-6/h6,9H,2-5H2,1H3.
What are the key properties of 2-(methoxymethyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazole?
2-(methoxymethyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazole has a molecular weight of 183.21 g/mol, XLogP of 0.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(methoxymethyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 66509664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).