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

C9H15N3O — CID 106983360

IUPAC5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCC(C)C1(c2ncno2)CCNC1
InChIInChI=1S/C9H15N3O/c1-7(2)9(3-4-10-5-9)8-11-6-12-13-8/h6-7,10H,3-5H2,1-2H3
InChIKeyFGXNBAJSUNWEFU-UHFFFAOYSA-N
MW181.24 g/mol
LogP0.96
Rot. Bonds2

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

5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole (PubChem CID 106983360) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
PubChem CID106983360
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole
SMILESCC(C)C1(c2ncno2)CCNC1
InChIInChI=1S/C9H15N3O/c1-7(2)9(3-4-10-5-9)8-11-6-12-13-8/h6-7,10H,3-5H2,1-2H3
InChIKeyFGXNBAJSUNWEFU-UHFFFAOYSA-N
XLogP0.96
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.24
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole (CID 106983360) is 5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole is CC(C)C1(c2ncno2)CCNC1.
What is the InChIKey of 5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole?
The InChIKey is FGXNBAJSUNWEFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-7(2)9(3-4-10-5-9)8-11-6-12-13-8/h6-7,10H,3-5H2,1-2H3.
What are the key properties of 5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole?
5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole has a molecular weight of 181.24 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-propan-2-ylpyrrolidin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 106983360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).