3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide

C16H21N3O2 — CID 665654

IUPAC3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
SMILESCNC(=O)CCc1nc(-c2ccc(C(C)(C)C)cc2)no1
InChIInChI=1S/C16H21N3O2/c1-16(2,3)12-7-5-11(6-8-12)15-18-14(21-19-15)10-9-13(20)17-4/h5-8H,9-10H2,1-4H3,(H,17,20)
InChIKeyNOGDJCUSTNXIOS-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.71
Rot. Bonds4

About 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide

3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide (PubChem CID 665654) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide.

Molecular Properties

Compound Name3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
PubChem CID665654
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC Name3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide
SMILESCNC(=O)CCc1nc(-c2ccc(C(C)(C)C)cc2)no1
InChIInChI=1S/C16H21N3O2/c1-16(2,3)12-7-5-11(6-8-12)15-18-14(21-19-15)10-9-13(20)17-4/h5-8H,9-10H2,1-4H3,(H,17,20)
InChIKeyNOGDJCUSTNXIOS-UHFFFAOYSA-N
XLogP2.71
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide 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 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide?
The IUPAC name of 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide (CID 665654) is 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide.
What is the SMILES notation for 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide?
The canonical SMILES for 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide is CNC(=O)CCc1nc(-c2ccc(C(C)(C)C)cc2)no1.
What is the InChIKey of 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide?
The InChIKey is NOGDJCUSTNXIOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-16(2,3)12-7-5-11(6-8-12)15-18-14(21-19-15)10-9-13(20)17-4/h5-8H,9-10H2,1-4H3,(H,17,20).
What are the key properties of 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide?
3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide has a molecular weight of 287.36 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-tert-butylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylpropanamide is sourced from PubChem (CID 665654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).