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

C21H23N3O2 — CID 16917815

IUPAC2-(3,4-dimethylphenyl)-N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
SMILESCc1ccc(Cc2nnc(NC(=O)Cc3ccc(C)c(C)c3)o2)c(C)c1
InChIInChI=1S/C21H23N3O2/c1-13-5-8-18(16(4)9-13)12-20-23-24-21(26-20)22-19(25)11-17-7-6-14(2)15(3)10-17/h5-10H,11-12H2,1-4H3,(H,22,24,25)
InChIKeyATYIOBLBOXHIMQ-UHFFFAOYSA-N
MW349.43 g/mol
LogP4.08
Rot. Bonds5

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

2-(3,4-dimethylphenyl)-N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 16917815) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is 2-(3,4-dimethylphenyl)-N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethylphenyl)-N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID16917815
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC Name2-(3,4-dimethylphenyl)-N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
SMILESCc1ccc(Cc2nnc(NC(=O)Cc3ccc(C)c(C)c3)o2)c(C)c1
InChIInChI=1S/C21H23N3O2/c1-13-5-8-18(16(4)9-13)12-20-23-24-21(26-20)22-19(25)11-17-7-6-14(2)15(3)10-17/h5-10H,11-12H2,1-4H3,(H,22,24,25)
InChIKeyATYIOBLBOXHIMQ-UHFFFAOYSA-N
XLogP4.08
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-methylphenyl)acetamide
CID 16917816
2-(2,5-dimethylphenyl)-N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 16917814
N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-methoxy-3-methylphenyl)acetamide
CID 43974430
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
N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-methylsulfonylphenyl)acetamide
CID 43974404
N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]butanamide
CID 43974330
N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(4-nitrophenyl)acetamide
CID 43974466
N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(3-methylphenoxy)acetamide
CID 43974462
5-bromo-N-[5-[(3,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]furan-2-carboxamide
CID 43974245
N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]thiophene-2-carboxamide
CID 16917684
2-(4-methylphenyl)-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43974150

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethylphenyl)-N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-(3,4-dimethylphenyl)-N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide (CID 16917815) is 2-(3,4-dimethylphenyl)-N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(3,4-dimethylphenyl)-N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-(3,4-dimethylphenyl)-N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide is Cc1ccc(Cc2nnc(NC(=O)Cc3ccc(C)c(C)c3)o2)c(C)c1.
What is the InChIKey of 2-(3,4-dimethylphenyl)-N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is ATYIOBLBOXHIMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-13-5-8-18(16(4)9-13)12-20-23-24-21(26-20)22-19(25)11-17-7-6-14(2)15(3)10-17/h5-10H,11-12H2,1-4H3,(H,22,24,25).
What are the key properties of 2-(3,4-dimethylphenyl)-N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
2-(3,4-dimethylphenyl)-N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 349.43 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethylphenyl)-N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 16917815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).