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

C11H17N3O2 — CID 115033888

IUPAC3-(3-methyloxolan-3-yl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
SMILESCC1(c2noc(C3CCNC3)n2)CCOC1
InChIInChI=1S/C11H17N3O2/c1-11(3-5-15-7-11)10-13-9(16-14-10)8-2-4-12-6-8/h8,12H,2-7H2,1H3
InChIKeyJQGZSJGEWFWXNX-UHFFFAOYSA-N
MW223.28 g/mol
LogP0.82
Rot. Bonds2

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

3-(3-methyloxolan-3-yl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole (PubChem CID 115033888) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-(3-methyloxolan-3-yl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-methyloxolan-3-yl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
PubChem CID115033888
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-(3-methyloxolan-3-yl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
SMILESCC1(c2noc(C3CCNC3)n2)CCOC1
InChIInChI=1S/C11H17N3O2/c1-11(3-5-15-7-11)10-13-9(16-14-10)8-2-4-12-6-8/h8,12H,2-7H2,1H3
InChIKeyJQGZSJGEWFWXNX-UHFFFAOYSA-N
XLogP0.82
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1-methylcyclobutyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 115032883
3-(1-methylcyclopentyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 115041080
3-(4-ethoxyoxan-4-yl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104912084
3-(4,4-dimethylcyclohexyl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 65390962
5-cyclopropyl-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride
CID 156745989
5-cyclopropyl-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole;iodomethane
CID 165104498
3-(1-methoxycyclohexyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104912078
3-(1-ethoxycyclopentyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 116741504
3-(4,4-dimethylcyclohexyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911880
5-(2,2-dimethylcyclopropyl)-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 166141411
3-(1-adamantyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911800
3-(2-methylpiperidin-2-yl)-5-(oxan-4-yl)-1,2,4-oxadiazole
CID 172908952

Frequently Asked Questions

What is the IUPAC name of 3-(3-methyloxolan-3-yl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(3-methyloxolan-3-yl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole (CID 115033888) is 3-(3-methyloxolan-3-yl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-methyloxolan-3-yl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-methyloxolan-3-yl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole is CC1(c2noc(C3CCNC3)n2)CCOC1.
What is the InChIKey of 3-(3-methyloxolan-3-yl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole?
The InChIKey is JQGZSJGEWFWXNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-11(3-5-15-7-11)10-13-9(16-14-10)8-2-4-12-6-8/h8,12H,2-7H2,1H3.
What are the key properties of 3-(3-methyloxolan-3-yl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole?
3-(3-methyloxolan-3-yl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole has a molecular weight of 223.28 g/mol, XLogP of 0.82, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methyloxolan-3-yl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 115033888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).