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

C9H15N3O2 — CID 63145186

IUPAC3-(methoxymethyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCOCc1noc(C2(C)CCNC2)n1
InChIInChI=1S/C9H15N3O2/c1-9(3-4-10-6-9)8-11-7(5-13-2)12-14-8/h10H,3-6H2,1-2H3
InChIKeyHCAYPNNSLMFFNF-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.47
Rot. Bonds3

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

3-(methoxymethyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole (PubChem CID 63145186) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 3-(methoxymethyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(methoxymethyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
PubChem CID63145186
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name3-(methoxymethyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCOCc1noc(C2(C)CCNC2)n1
InChIInChI=1S/C9H15N3O2/c1-9(3-4-10-6-9)8-11-7(5-13-2)12-14-8/h10H,3-6H2,1-2H3
InChIKeyHCAYPNNSLMFFNF-UHFFFAOYSA-N
XLogP0.47
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(methoxymethyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(methoxymethyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole (CID 63145186) is 3-(methoxymethyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(methoxymethyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(methoxymethyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole is COCc1noc(C2(C)CCNC2)n1.
What is the InChIKey of 3-(methoxymethyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is HCAYPNNSLMFFNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-9(3-4-10-6-9)8-11-7(5-13-2)12-14-8/h10H,3-6H2,1-2H3.
What are the key properties of 3-(methoxymethyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole?
3-(methoxymethyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 197.24 g/mol, XLogP of 0.47, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methoxymethyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 63145186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).