5-(1,3-dimethylpyrrolidin-3-yl)-3-methyl-1,2,4-oxadiazole

C9H15N3O — CID 21476650

IUPAC5-(1,3-dimethylpyrrolidin-3-yl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2(C)CCN(C)C2)n1
InChIInChI=1S/C9H15N3O/c1-7-10-8(13-11-7)9(2)4-5-12(3)6-9/h4-6H2,1-3H3
InChIKeyGNYRIUVELDCJEP-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.97
Rot. Bonds1

About 5-(1,3-dimethylpyrrolidin-3-yl)-3-methyl-1,2,4-oxadiazole

5-(1,3-dimethylpyrrolidin-3-yl)-3-methyl-1,2,4-oxadiazole (PubChem CID 21476650) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-(1,3-dimethylpyrrolidin-3-yl)-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1,3-dimethylpyrrolidin-3-yl)-3-methyl-1,2,4-oxadiazole
PubChem CID21476650
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name5-(1,3-dimethylpyrrolidin-3-yl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2(C)CCN(C)C2)n1
InChIInChI=1S/C9H15N3O/c1-7-10-8(13-11-7)9(2)4-5-12(3)6-9/h4-6H2,1-3H3
InChIKeyGNYRIUVELDCJEP-UHFFFAOYSA-N
XLogP0.97
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(1,3-dimethylpyrrolidin-3-yl)-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-(1,3-dimethylpyrrolidin-3-yl)-3-methyl-1,2,4-oxadiazole (CID 21476650) is 5-(1,3-dimethylpyrrolidin-3-yl)-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1,3-dimethylpyrrolidin-3-yl)-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1,3-dimethylpyrrolidin-3-yl)-3-methyl-1,2,4-oxadiazole is Cc1noc(C2(C)CCN(C)C2)n1.
What is the InChIKey of 5-(1,3-dimethylpyrrolidin-3-yl)-3-methyl-1,2,4-oxadiazole?
The InChIKey is GNYRIUVELDCJEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7-10-8(13-11-7)9(2)4-5-12(3)6-9/h4-6H2,1-3H3.
What are the key properties of 5-(1,3-dimethylpyrrolidin-3-yl)-3-methyl-1,2,4-oxadiazole?
5-(1,3-dimethylpyrrolidin-3-yl)-3-methyl-1,2,4-oxadiazole has a molecular weight of 181.24 g/mol, XLogP of 0.97, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-dimethylpyrrolidin-3-yl)-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 21476650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).