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

C10H17N3O — CID 55220676

IUPAC3-methyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCCCC1(c2nc(C)no2)CCNC1
InChIInChI=1S/C10H17N3O/c1-3-4-10(5-6-11-7-10)9-12-8(2)13-14-9/h11H,3-7H2,1-2H3
InChIKeyBHIMHWJXXMCBPO-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.41
Rot. Bonds3

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

3-methyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole (PubChem CID 55220676) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is 3-methyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-methyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
PubChem CID55220676
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name3-methyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCCCC1(c2nc(C)no2)CCNC1
InChIInChI=1S/C10H17N3O/c1-3-4-10(5-6-11-7-10)9-12-8(2)13-14-9/h11H,3-7H2,1-2H3
InChIKeyBHIMHWJXXMCBPO-UHFFFAOYSA-N
XLogP1.41
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-methyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole (CID 55220676) is 3-methyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-methyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-methyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole is CCCC1(c2nc(C)no2)CCNC1.
What is the InChIKey of 3-methyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is BHIMHWJXXMCBPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c1-3-4-10(5-6-11-7-10)9-12-8(2)13-14-9/h11H,3-7H2,1-2H3.
What are the key properties of 3-methyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole?
3-methyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 195.27 g/mol, XLogP of 1.41, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 55220676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).