N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)acetamide

C20H21N3O2 — CID 16917816

IUPACN-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2nnc(Cc3ccc(C)cc3C)o2)cc1
InChIInChI=1S/C20H21N3O2/c1-13-4-7-16(8-5-13)11-18(24)21-20-23-22-19(25-20)12-17-9-6-14(2)10-15(17)3/h4-10H,11-12H2,1-3H3,(H,21,23,24)
InChIKeyOWFFJXARWPWSNC-UHFFFAOYSA-N
MW335.41 g/mol
LogP3.77
Rot. Bonds5

About N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)acetamide

N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)acetamide (PubChem CID 16917816) has the molecular formula C20H21N3O2 and a molecular weight of 335.41 g/mol. Its IUPAC name is N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)acetamide.

Molecular Properties

Compound NameN-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)acetamide
PubChem CID16917816
Molecular FormulaC20H21N3O2
Molecular Weight335.41 g/mol
Exact Mass335.16
IUPAC NameN-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)acetamide
SMILESCc1ccc(CC(=O)Nc2nnc(Cc3ccc(C)cc3C)o2)cc1
InChIInChI=1S/C20H21N3O2/c1-13-4-7-16(8-5-13)11-18(24)21-20-23-22-19(25-20)12-17-9-6-14(2)10-15(17)3/h4-10H,11-12H2,1-3H3,(H,21,23,24)
InChIKeyOWFFJXARWPWSNC-UHFFFAOYSA-N
XLogP3.77
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.41
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,4-dimethylphenyl)-N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 16917815
2-(2,5-dimethylphenyl)-N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 16917814
2-(4-methylphenyl)-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43973334
N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methylbenzamide
CID 16917667
2-(4-methylphenyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43974150
N-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 16820716
N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 16917684
N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-methylsulfonylphenyl)acetamide
CID 43974404
2-(4-methylphenyl)-N-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 16854851
N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-nitrophenyl)acetamide
CID 43974466
N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-phenylphenyl)acetamide
CID 43973925
N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 43974430

Frequently Asked Questions

What is the IUPAC name of N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)acetamide?
The IUPAC name of N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)acetamide (CID 16917816) is N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)acetamide.
What is the SMILES notation for N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)acetamide?
The canonical SMILES for N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)acetamide is Cc1ccc(CC(=O)Nc2nnc(Cc3ccc(C)cc3C)o2)cc1.
What is the InChIKey of N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)acetamide?
The InChIKey is OWFFJXARWPWSNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2/c1-13-4-7-16(8-5-13)11-18(24)21-20-23-22-19(25-20)12-17-9-6-14(2)10-15(17)3/h4-10H,11-12H2,1-3H3,(H,21,23,24).
What are the key properties of N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)acetamide?
N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)acetamide has a molecular weight of 335.41 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)acetamide is sourced from PubChem (CID 16917816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).