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

C8H13N3O2 — CID 68731031

IUPAC3,3-dimethyl-2-(1,2,4-oxadiazol-5-yl)butanamide
SMILESCC(C)(C)C(C(N)=O)c1ncno1
InChIInChI=1S/C8H13N3O2/c1-8(2,3)5(6(9)12)7-10-4-11-13-7/h4-5H,1-3H3,(H2,9,12)
InChIKeyVTGHGWACPPRLKG-UHFFFAOYSA-N
MW183.21 g/mol
LogP0.68
Rot. Bonds2

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

3,3-dimethyl-2-(1,2,4-oxadiazol-5-yl)butanamide (PubChem CID 68731031) has the molecular formula C8H13N3O2 and a molecular weight of 183.21 g/mol. Its IUPAC name is 3,3-dimethyl-2-(1,2,4-oxadiazol-5-yl)butanamide.

Molecular Properties

Compound Name3,3-dimethyl-2-(1,2,4-oxadiazol-5-yl)butanamide
PubChem CID68731031
Molecular FormulaC8H13N3O2
Molecular Weight183.21 g/mol
Exact Mass183.10
IUPAC Name3,3-dimethyl-2-(1,2,4-oxadiazol-5-yl)butanamide
SMILESCC(C)(C)C(C(N)=O)c1ncno1
InChIInChI=1S/C8H13N3O2/c1-8(2,3)5(6(9)12)7-10-4-11-13-7/h4-5H,1-3H3,(H2,9,12)
InChIKeyVTGHGWACPPRLKG-UHFFFAOYSA-N
XLogP0.68
TPSA82.01 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.21
LogP ≤ 50.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-2-(1,2,4-oxadiazol-5-yl)butanamide?
The IUPAC name of 3,3-dimethyl-2-(1,2,4-oxadiazol-5-yl)butanamide (CID 68731031) is 3,3-dimethyl-2-(1,2,4-oxadiazol-5-yl)butanamide.
What is the SMILES notation for 3,3-dimethyl-2-(1,2,4-oxadiazol-5-yl)butanamide?
The canonical SMILES for 3,3-dimethyl-2-(1,2,4-oxadiazol-5-yl)butanamide is CC(C)(C)C(C(N)=O)c1ncno1.
What is the InChIKey of 3,3-dimethyl-2-(1,2,4-oxadiazol-5-yl)butanamide?
The InChIKey is VTGHGWACPPRLKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O2/c1-8(2,3)5(6(9)12)7-10-4-11-13-7/h4-5H,1-3H3,(H2,9,12).
What are the key properties of 3,3-dimethyl-2-(1,2,4-oxadiazol-5-yl)butanamide?
3,3-dimethyl-2-(1,2,4-oxadiazol-5-yl)butanamide has a molecular weight of 183.21 g/mol, XLogP of 0.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-2-(1,2,4-oxadiazol-5-yl)butanamide is sourced from PubChem (CID 68731031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).