2,2-dimethyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide

C12H14N4O2 — CID 3463671

IUPAC2,2-dimethyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCC(C)(C)C(=O)Nc1nnc(-c2ccncc2)o1
InChIInChI=1S/C12H14N4O2/c1-12(2,3)10(17)14-11-16-15-9(18-11)8-4-6-13-7-5-8/h4-7H,1-3H3,(H,14,16,17)
InChIKeyDPNIKPYTKQAFEM-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.12
Rot. Bonds2

About 2,2-dimethyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide

2,2-dimethyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide (PubChem CID 3463671) has the molecular formula C12H14N4O2 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2,2-dimethyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
PubChem CID3463671
Molecular FormulaC12H14N4O2
Molecular Weight246.27 g/mol
Exact Mass246.11
IUPAC Name2,2-dimethyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide
SMILESCC(C)(C)C(=O)Nc1nnc(-c2ccncc2)o1
InChIInChI=1S/C12H14N4O2/c1-12(2,3)10(17)14-11-16-15-9(18-11)8-4-6-13-7-5-8/h4-7H,1-3H3,(H,14,16,17)
InChIKeyDPNIKPYTKQAFEM-UHFFFAOYSA-N
XLogP2.12
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide?
The IUPAC name of 2,2-dimethyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide (CID 3463671) is 2,2-dimethyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide.
What is the SMILES notation for 2,2-dimethyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide?
The canonical SMILES for 2,2-dimethyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide is CC(C)(C)C(=O)Nc1nnc(-c2ccncc2)o1.
What is the InChIKey of 2,2-dimethyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide?
The InChIKey is DPNIKPYTKQAFEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O2/c1-12(2,3)10(17)14-11-16-15-9(18-11)8-4-6-13-7-5-8/h4-7H,1-3H3,(H,14,16,17).
What are the key properties of 2,2-dimethyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide?
2,2-dimethyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide has a molecular weight of 246.27 g/mol, XLogP of 2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)propanamide is sourced from PubChem (CID 3463671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).