2,2-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)butanamide

C12H20N4O2 — CID 102703341

IUPAC2,2-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)butanamide
SMILESCCC(C)(C)C(=O)Nc1nnc(C2CCCN2)o1
InChIInChI=1S/C12H20N4O2/c1-4-12(2,3)10(17)14-11-16-15-9(18-11)8-6-5-7-13-8/h8,13H,4-7H2,1-3H3,(H,14,16,17)
InChIKeyCCLZQTOAKTWTTI-UHFFFAOYSA-N
MW252.32 g/mol
LogP1.87
Rot. Bonds4

About 2,2-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)butanamide

2,2-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)butanamide (PubChem CID 102703341) has the molecular formula C12H20N4O2 and a molecular weight of 252.32 g/mol. Its IUPAC name is 2,2-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)butanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)butanamide
PubChem CID102703341
Molecular FormulaC12H20N4O2
Molecular Weight252.32 g/mol
Exact Mass252.16
IUPAC Name2,2-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)butanamide
SMILESCCC(C)(C)C(=O)Nc1nnc(C2CCCN2)o1
InChIInChI=1S/C12H20N4O2/c1-4-12(2,3)10(17)14-11-16-15-9(18-11)8-6-5-7-13-8/h8,13H,4-7H2,1-3H3,(H,14,16,17)
InChIKeyCCLZQTOAKTWTTI-UHFFFAOYSA-N
XLogP1.87
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)butanamide?
The IUPAC name of 2,2-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)butanamide (CID 102703341) is 2,2-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)butanamide.
What is the SMILES notation for 2,2-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)butanamide?
The canonical SMILES for 2,2-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)butanamide is CCC(C)(C)C(=O)Nc1nnc(C2CCCN2)o1.
What is the InChIKey of 2,2-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)butanamide?
The InChIKey is CCLZQTOAKTWTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4O2/c1-4-12(2,3)10(17)14-11-16-15-9(18-11)8-6-5-7-13-8/h8,13H,4-7H2,1-3H3,(H,14,16,17).
What are the key properties of 2,2-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)butanamide?
2,2-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)butanamide has a molecular weight of 252.32 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(5-pyrrolidin-2-yl-1,3,4-oxadiazol-2-yl)butanamide is sourced from PubChem (CID 102703341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).