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

C9H15N3O — CID 62388483

IUPAC5-propan-2-yl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1nc(C2CCCN2)no1
InChIInChI=1S/C9H15N3O/c1-6(2)9-11-8(12-13-9)7-4-3-5-10-7/h6-7,10H,3-5H2,1-2H3
InChIKeyWKTDGUSTKNDUEI-UHFFFAOYSA-N
MW181.24 g/mol
LogP1.62
Rot. Bonds2

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

5-propan-2-yl-3-pyrrolidin-2-yl-1,2,4-oxadiazole (PubChem CID 62388483) has the molecular formula C9H15N3O and a molecular weight of 181.24 g/mol. Its IUPAC name is 5-propan-2-yl-3-pyrrolidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-propan-2-yl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
PubChem CID62388483
Molecular FormulaC9H15N3O
Molecular Weight181.24 g/mol
Exact Mass181.12
IUPAC Name5-propan-2-yl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
SMILESCC(C)c1nc(C2CCCN2)no1
InChIInChI=1S/C9H15N3O/c1-6(2)9-11-8(12-13-9)7-4-3-5-10-7/h6-7,10H,3-5H2,1-2H3
InChIKeyWKTDGUSTKNDUEI-UHFFFAOYSA-N
XLogP1.62
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 ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-propan-2-yl-3-pyrrolidin-2-yl-1,2,4-oxadiazole (CID 62388483) is 5-propan-2-yl-3-pyrrolidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-propan-2-yl-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-propan-2-yl-3-pyrrolidin-2-yl-1,2,4-oxadiazole is CC(C)c1nc(C2CCCN2)no1.
What is the InChIKey of 5-propan-2-yl-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
The InChIKey is WKTDGUSTKNDUEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O/c1-6(2)9-11-8(12-13-9)7-4-3-5-10-7/h6-7,10H,3-5H2,1-2H3.
What are the key properties of 5-propan-2-yl-3-pyrrolidin-2-yl-1,2,4-oxadiazole?
5-propan-2-yl-3-pyrrolidin-2-yl-1,2,4-oxadiazole has a molecular weight of 181.24 g/mol, XLogP of 1.62, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-3-pyrrolidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 62388483), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).