3-(2-methoxyethyl)-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole

C10H17N3O2 — CID 70955476

IUPAC3-(2-methoxyethyl)-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
SMILESCOCCc1noc(C2CCCN2C)n1
InChIInChI=1S/C10H17N3O2/c1-13-6-3-4-8(13)10-11-9(12-15-10)5-7-14-2/h8H,3-7H2,1-2H3
InChIKeyWVGZKIUATFNYIX-UHFFFAOYSA-N
MW211.26 g/mol
LogP1.03
Rot. Bonds4

About 3-(2-methoxyethyl)-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole

3-(2-methoxyethyl)-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole (PubChem CID 70955476) has the molecular formula C10H17N3O2 and a molecular weight of 211.26 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxyethyl)-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
PubChem CID70955476
Molecular FormulaC10H17N3O2
Molecular Weight211.26 g/mol
Exact Mass211.13
IUPAC Name3-(2-methoxyethyl)-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
SMILESCOCCc1noc(C2CCCN2C)n1
InChIInChI=1S/C10H17N3O2/c1-13-6-3-4-8(13)10-11-9(12-15-10)5-7-14-2/h8H,3-7H2,1-2H3
InChIKeyWVGZKIUATFNYIX-UHFFFAOYSA-N
XLogP1.03
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.26
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 115077901
3-(2-methoxyethyl)-5-[1-(2-methylsulfonylethyl)piperidin-2-yl]-1,2,4-oxadiazole
CID 134711986
3-(2-methoxyethyl)-5-[(2S)-1-[(5-methyl-1,3,4-thiadiazol-2-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 118769492
3-ethyl-5-[(2S)-1-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-2-yl]-1,2,4-oxadiazole
CID 95110628
5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-amine
CID 115077784
1-[4-[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]piperidin-1-yl]ethanone
CID 50970693
4-[1-[2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropan-2-yl]morpholine
CID 77083642
3-[2-[(2R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethyl]-1H-imidazol-2-one
CID 124749324
3-(2-methoxyethyl)-5-[(3S)-1-[(4-methylsulfanylphenyl)methyl]piperidin-3-yl]-1,2,4-oxadiazole
CID 95727245
3-(2-methoxyethyl)-5-(thiolan-2-yl)-1,2,4-oxadiazole
CID 71870137
[(2S)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-(4-methyl-2-propan-2-yl-1,3-thiazol-5-yl)methanone
CID 72866866
(2R)-2-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-N-(5-methyl-1-propan-2-yl-1,2,4-triazol-3-yl)pyrrolidine-1-carboxamide
CID 31258686

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxyethyl)-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole (CID 70955476) is 3-(2-methoxyethyl)-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxyethyl)-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxyethyl)-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole is COCCc1noc(C2CCCN2C)n1.
What is the InChIKey of 3-(2-methoxyethyl)-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The InChIKey is WVGZKIUATFNYIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2/c1-13-6-3-4-8(13)10-11-9(12-15-10)5-7-14-2/h8H,3-7H2,1-2H3.
What are the key properties of 3-(2-methoxyethyl)-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole?
3-(2-methoxyethyl)-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole has a molecular weight of 211.26 g/mol, XLogP of 1.03, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-5-(1-methylpyrrolidin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 70955476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).