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

C18H16ClN3O2 — CID 27210520

IUPACN-(3-chloro-2-methylphenyl)-2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide
SMILESCc1ccc(-c2nc(CC(=O)Nc3cccc(Cl)c3C)no2)cc1
InChIInChI=1S/C18H16ClN3O2/c1-11-6-8-13(9-7-11)18-21-16(22-24-18)10-17(23)20-15-5-3-4-14(19)12(15)2/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyLJKVVTFYEYESMH-UHFFFAOYSA-N
MW341.80 g/mol
LogP4.19
Rot. Bonds4

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

N-(3-chloro-2-methylphenyl)-2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide (PubChem CID 27210520) has the molecular formula C18H16ClN3O2 and a molecular weight of 341.80 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide
PubChem CID27210520
Molecular FormulaC18H16ClN3O2
Molecular Weight341.80 g/mol
Exact Mass341.09
IUPAC NameN-(3-chloro-2-methylphenyl)-2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide
SMILESCc1ccc(-c2nc(CC(=O)Nc3cccc(Cl)c3C)no2)cc1
InChIInChI=1S/C18H16ClN3O2/c1-11-6-8-13(9-7-11)18-21-16(22-24-18)10-17(23)20-15-5-3-4-14(19)12(15)2/h3-9H,10H2,1-2H3,(H,20,23)
InChIKeyLJKVVTFYEYESMH-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-(3-chloro-2-methylphenyl)-2-(5-thiophen-2-yl-1,2,4-oxadiazol-3-yl)acetamide
CID 43819078
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
2-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N-(2,5-dimethylphenyl)acetamide
CID 27211176
N-(3-chloro-2-methylphenyl)-2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 25238000
3-chloro-2-methyl-N-[(5-phenyl-1,2,4-oxadiazol-3-yl)methyl]aniline
CID 78829242
N-(3-chloro-2-methylphenyl)-2-[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]acetamide
CID 16879203
N-(3-chloro-2-methylphenyl)-2-(2,4-dimethylphenyl)acetamide
CID 100746423
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-2-(4-methylphenyl)acetamide
CID 27676992
N-(3-chloro-2-methylphenyl)-2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]acetamide
CID 16878861
N,N'-bis(3-chloro-2-methylphenyl)butanediamide
CID 1226548
N-(2-chlorophenyl)-2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46266785

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide (CID 27210520) is N-(3-chloro-2-methylphenyl)-2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide is Cc1ccc(-c2nc(CC(=O)Nc3cccc(Cl)c3C)no2)cc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide?
The InChIKey is LJKVVTFYEYESMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O2/c1-11-6-8-13(9-7-11)18-21-16(22-24-18)10-17(23)20-15-5-3-4-14(19)12(15)2/h3-9H,10H2,1-2H3,(H,20,23).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide?
N-(3-chloro-2-methylphenyl)-2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]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 N-(3-chloro-2-methylphenyl)-2-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide is sourced from PubChem (CID 27210520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).