3-methyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole

C7H11N3O — CID 20635963

IUPAC3-methyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESCc1noc(C2CCCN2)n1
InChIInChI=1S/C7H11N3O/c1-5-9-7(11-10-5)6-3-2-4-8-6/h6,8H,2-4H2,1H3
InChIKeyHVPGJKMIHQOPDG-UHFFFAOYSA-N
MW153.19 g/mol
LogP0.80
Rot. Bonds1

About 3-methyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole

3-methyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole (PubChem CID 20635963) has the molecular formula C7H11N3O and a molecular weight of 153.19 g/mol. Its IUPAC name is 3-methyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole
PubChem CID20635963
Molecular FormulaC7H11N3O
Molecular Weight153.19 g/mol
Exact Mass153.09
IUPAC Name3-methyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESCc1noc(C2CCCN2)n1
InChIInChI=1S/C7H11N3O/c1-5-9-7(11-10-5)6-3-2-4-8-6/h6,8H,2-4H2,1H3
InChIKeyHVPGJKMIHQOPDG-UHFFFAOYSA-N
XLogP0.80
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.19
LogP ≤ 50.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole (CID 20635963) is 3-methyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole is Cc1noc(C2CCCN2)n1.
What is the InChIKey of 3-methyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole?
The InChIKey is HVPGJKMIHQOPDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O/c1-5-9-7(11-10-5)6-3-2-4-8-6/h6,8H,2-4H2,1H3.
What are the key properties of 3-methyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole?
3-methyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole has a molecular weight of 153.19 g/mol, XLogP of 0.80, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-pyrrolidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 20635963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).