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

C18H16ClN3O2 — CID 27211176

IUPAC2-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)Cc2noc(-c3cccc(Cl)c3)n2)c1
InChIInChI=1S/C18H16ClN3O2/c1-11-6-7-12(2)15(8-11)20-17(23)10-16-21-18(24-22-16)13-4-3-5-14(19)9-13/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyVQUASEWESLDLQI-UHFFFAOYSA-N
MW341.80 g/mol
LogP4.19
Rot. Bonds4

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

2-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2,5-dimethylphenyl)acetamide (PubChem CID 27211176) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is 2-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2,5-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2,5-dimethylphenyl)acetamide
PubChem CID27211176
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC Name2-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2,5-dimethylphenyl)acetamide
SMILESCc1ccc(C)c(NC(=O)Cc2noc(-c3cccc(Cl)c3)n2)c1
InChIInChI=1S/C18H16ClN3O2/c1-11-6-7-12(2)15(8-11)20-17(23)10-16-21-18(24-22-16)13-4-3-5-14(19)9-13/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyVQUASEWESLDLQI-UHFFFAOYSA-N
XLogP4.19
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.80
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chlorophenyl)-2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide
CID 27210770
N-(2,3-dichlorophenyl)-2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide
CID 27211747
N-(3-chloro-2-methylphenyl)-2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide
CID 27210520
2-(5-benzyl-1,2,4-oxadiazol-3-yl)-N-(2,5-dimethylphenyl)acetamide
CID 43819055
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-(2-fluoro-5-methylphenyl)acetamide
CID 9455183
4-chloro-2-[[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]methylamino]benzamide
CID 99589110
2-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl acetate
CID 151970918
N-(2,5-dimethylphenyl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 39427770
N-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-methylphenyl]-2-(methylamino)acetamide;hydrochloride
CID 119815839
N-(3,5-dichlorophenyl)-2-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)acetamide
CID 27211727
2-[5-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-N-methylacetamide
CID 71970414
N-methyl-3-[3-[2-(methylamino)-2-oxoethyl]-1,2,4-oxadiazol-5-yl]benzamide
CID 71852002

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2,5-dimethylphenyl)acetamide?
The IUPAC name of 2-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2,5-dimethylphenyl)acetamide (CID 27211176) is 2-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2,5-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2,5-dimethylphenyl)acetamide?
The canonical SMILES for 2-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2,5-dimethylphenyl)acetamide is Cc1ccc(C)c(NC(=O)Cc2noc(-c3cccc(Cl)c3)n2)c1.
What is the InChIKey of 2-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2,5-dimethylphenyl)acetamide?
The InChIKey is VQUASEWESLDLQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-11-6-7-12(2)15(8-11)20-17(23)10-16-21-18(24-22-16)13-4-3-5-14(19)9-13/h3-9H,10H2,1-2H3,(H,20,23).
What are the key properties of 2-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2,5-dimethylphenyl)acetamide?
2-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2,5-dimethylphenyl)acetamide has a molecular weight of 341.80 g/mol, XLogP of 4.19, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2,5-dimethylphenyl)acetamide is sourced from PubChem (CID 27211176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).