2,2-dimethyl-N-[3-(1,2,4-oxadiazol-3-yl)phenyl]propanamide

C13H15N3O2 — CID 2739418

IUPAC2,2-dimethyl-N-[3-(1,2,4-oxadiazol-3-yl)phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1cccc(-c2ncon2)c1
InChIInChI=1S/C13H15N3O2/c1-13(2,3)12(17)15-10-6-4-5-9(7-10)11-14-8-18-16-11/h4-8H,1-3H3,(H,15,17)
InChIKeyYDSTUKRPNHLYLH-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.72
Rot. Bonds2

About 2,2-dimethyl-N-[3-(1,2,4-oxadiazol-3-yl)phenyl]propanamide

2,2-dimethyl-N-[3-(1,2,4-oxadiazol-3-yl)phenyl]propanamide (PubChem CID 2739418) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is 2,2-dimethyl-N-[3-(1,2,4-oxadiazol-3-yl)phenyl]propanamide.

Molecular Properties

Compound Name2,2-dimethyl-N-[3-(1,2,4-oxadiazol-3-yl)phenyl]propanamide
PubChem CID2739418
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC Name2,2-dimethyl-N-[3-(1,2,4-oxadiazol-3-yl)phenyl]propanamide
SMILESCC(C)(C)C(=O)Nc1cccc(-c2ncon2)c1
InChIInChI=1S/C13H15N3O2/c1-13(2,3)12(17)15-10-6-4-5-9(7-10)11-14-8-18-16-11/h4-8H,1-3H3,(H,15,17)
InChIKeyYDSTUKRPNHLYLH-UHFFFAOYSA-N
XLogP2.72
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,2-dimethyl-N-[3-(1,2,4-oxadiazol-3-yl)phenyl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-N-[3-(1,2,4-oxadiazol-3-yl)phenyl]propanamide?
The IUPAC name of 2,2-dimethyl-N-[3-(1,2,4-oxadiazol-3-yl)phenyl]propanamide (CID 2739418) is 2,2-dimethyl-N-[3-(1,2,4-oxadiazol-3-yl)phenyl]propanamide.
What is the SMILES notation for 2,2-dimethyl-N-[3-(1,2,4-oxadiazol-3-yl)phenyl]propanamide?
The canonical SMILES for 2,2-dimethyl-N-[3-(1,2,4-oxadiazol-3-yl)phenyl]propanamide is CC(C)(C)C(=O)Nc1cccc(-c2ncon2)c1.
What is the InChIKey of 2,2-dimethyl-N-[3-(1,2,4-oxadiazol-3-yl)phenyl]propanamide?
The InChIKey is YDSTUKRPNHLYLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-13(2,3)12(17)15-10-6-4-5-9(7-10)11-14-8-18-16-11/h4-8H,1-3H3,(H,15,17).
What are the key properties of 2,2-dimethyl-N-[3-(1,2,4-oxadiazol-3-yl)phenyl]propanamide?
2,2-dimethyl-N-[3-(1,2,4-oxadiazol-3-yl)phenyl]propanamide has a molecular weight of 245.28 g/mol, XLogP of 2.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-N-[3-(1,2,4-oxadiazol-3-yl)phenyl]propanamide is sourced from PubChem (CID 2739418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).