4-(2-methylphenyl)-4-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide

C20H19N3O3 — CID 110606895

IUPAC4-(2-methylphenyl)-4-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide
SMILESCc1ccccc1C(=O)CCC(=O)NCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C20H19N3O3/c1-14-7-5-6-10-16(14)17(24)11-12-18(25)21-13-19-22-23-20(26-19)15-8-3-2-4-9-15/h2-10H,11-13H2,1H3,(H,21,25)
InChIKeyNQJRNZRVKRGODI-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.32
Rot. Bonds7

About 4-(2-methylphenyl)-4-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide

4-(2-methylphenyl)-4-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide (PubChem CID 110606895) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 4-(2-methylphenyl)-4-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide.

Molecular Properties

Compound Name4-(2-methylphenyl)-4-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide
PubChem CID110606895
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name4-(2-methylphenyl)-4-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide
SMILESCc1ccccc1C(=O)CCC(=O)NCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C20H19N3O3/c1-14-7-5-6-10-16(14)17(24)11-12-18(25)21-13-19-22-23-20(26-19)15-8-3-2-4-9-15/h2-10H,11-13H2,1H3,(H,21,25)
InChIKeyNQJRNZRVKRGODI-UHFFFAOYSA-N
XLogP3.32
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(2-methylphenyl)-4-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide with MolForge

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

Launch Full Analysis

Related Compounds

4-(2-fluorophenyl)-4-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide
CID 110606896
4-(4-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide
CID 110615805
N-[(2,4-dimethylphenyl)methyl]-3-(5-phenyl-1,3,4-oxadiazol-2-yl)propanamide
CID 46590920
2-(2-methoxyphenoxy)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 110318462
2-(4-methylsulfonylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 86286746
2-(2-methyl-1H-indol-3-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 56755966
1-phenyl-3-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 110318453
N-ethyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methylamino]acetamide
CID 60695092
3-(1H-benzimidazol-2-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]propanamide
CID 77081934
2-(oxan-2-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]acetamide
CID 110606908
2-(dimethylamino)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridine-3-carboxamide
CID 110615826
N-ethyl-2-(5-phenyl-1,3,4-oxadiazol-2-yl)acetamide
CID 46249412

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-4-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide?
The IUPAC name of 4-(2-methylphenyl)-4-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide (CID 110606895) is 4-(2-methylphenyl)-4-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide.
What is the SMILES notation for 4-(2-methylphenyl)-4-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide?
The canonical SMILES for 4-(2-methylphenyl)-4-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide is Cc1ccccc1C(=O)CCC(=O)NCc1nnc(-c2ccccc2)o1.
What is the InChIKey of 4-(2-methylphenyl)-4-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide?
The InChIKey is NQJRNZRVKRGODI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-14-7-5-6-10-16(14)17(24)11-12-18(25)21-13-19-22-23-20(26-19)15-8-3-2-4-9-15/h2-10H,11-13H2,1H3,(H,21,25).
What are the key properties of 4-(2-methylphenyl)-4-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide?
4-(2-methylphenyl)-4-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide has a molecular weight of 349.39 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-4-oxo-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]butanamide is sourced from PubChem (CID 110606895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).