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

C11H17N3O2 — CID 115077336

IUPAC5-(oxolan-3-ylmethyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESC1CNC(c2noc(CC3CCOC3)n2)C1
InChIInChI=1S/C11H17N3O2/c1-2-9(12-4-1)11-13-10(16-14-11)6-8-3-5-15-7-8/h8-9,12H,1-7H2
InChIKeyNCWCZJJWMRJJNV-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.07
Rot. Bonds3

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

5-(oxolan-3-ylmethyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole (PubChem CID 115077336) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 5-(oxolan-3-ylmethyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(oxolan-3-ylmethyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
PubChem CID115077336
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name5-(oxolan-3-ylmethyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESC1CNC(c2noc(CC3CCOC3)n2)C1
InChIInChI=1S/C11H17N3O2/c1-2-9(12-4-1)11-13-10(16-14-11)6-8-3-5-15-7-8/h8-9,12H,1-7H2
InChIKeyNCWCZJJWMRJJNV-UHFFFAOYSA-N
XLogP1.07
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(cyclobutylmethyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 104879874
(3S)-3-[5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 97345709
3-piperidin-2-yl-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole
CID 115077325
5-[(1-methylpiperidin-2-yl)methyl]-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 115078374
5-(azepan-4-ylmethyl)-3-(oxolan-3-yl)-1,2,4-oxadiazole;hydrochloride
CID 120842324
5-benzyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317448
5-nonyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 65427943
3-ethyl-5-[[(3R)-oxolan-3-yl]methyl]-1,2,4-oxadiazole
CID 131182892
N,N-dimethyl-1-(3-piperidin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 63189531
3-(oxolan-3-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 103832673
3-(oxan-4-yl)-5-[[(3R)-piperidin-3-yl]methyl]-1,2,4-oxadiazole
CID 97052953
5-(2-phenylethyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317905

Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-3-ylmethyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(oxolan-3-ylmethyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole (CID 115077336) is 5-(oxolan-3-ylmethyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(oxolan-3-ylmethyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(oxolan-3-ylmethyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole is C1CNC(c2noc(CC3CCOC3)n2)C1.
What is the InChIKey of 5-(oxolan-3-ylmethyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The InChIKey is NCWCZJJWMRJJNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-2-9(12-4-1)11-13-10(16-14-11)6-8-3-5-15-7-8/h8-9,12H,1-7H2.
What are the key properties of 5-(oxolan-3-ylmethyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
5-(oxolan-3-ylmethyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole has a molecular weight of 223.28 g/mol, XLogP of 1.07, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-3-ylmethyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 115077336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).