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

C12H21N3O — CID 106977865

IUPAC3-propan-2-yl-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
SMILESCCCC1(c2nc(C(C)C)no2)CCCN1
InChIInChI=1S/C12H21N3O/c1-4-6-12(7-5-8-13-12)11-14-10(9(2)3)15-16-11/h9,13H,4-8H2,1-3H3
InChIKeyHSFFCZXCZAJTOQ-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.57
Rot. Bonds4

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

3-propan-2-yl-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole (PubChem CID 106977865) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 3-propan-2-yl-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-propan-2-yl-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
PubChem CID106977865
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name3-propan-2-yl-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole
SMILESCCCC1(c2nc(C(C)C)no2)CCCN1
InChIInChI=1S/C12H21N3O/c1-4-6-12(7-5-8-13-12)11-14-10(9(2)3)15-16-11/h9,13H,4-8H2,1-3H3
InChIKeyHSFFCZXCZAJTOQ-UHFFFAOYSA-N
XLogP2.57
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-propan-2-yl-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole (CID 106977865) is 3-propan-2-yl-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-propan-2-yl-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-propan-2-yl-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole is CCCC1(c2nc(C(C)C)no2)CCCN1.
What is the InChIKey of 3-propan-2-yl-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole?
The InChIKey is HSFFCZXCZAJTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-6-12(7-5-8-13-12)11-14-10(9(2)3)15-16-11/h9,13H,4-8H2,1-3H3.
What are the key properties of 3-propan-2-yl-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole?
3-propan-2-yl-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole has a molecular weight of 223.32 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-5-(2-propylpyrrolidin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 106977865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).