2-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-N-(4-methoxyphenyl)acetamide

C17H13Cl2N3O3 — CID 27211427

IUPAC2-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cc2noc(-c3ccc(Cl)c(Cl)c3)n2)cc1
InChIInChI=1S/C17H13Cl2N3O3/c1-24-12-5-3-11(4-6-12)20-16(23)9-15-21-17(25-22-15)10-2-7-13(18)14(19)8-10/h2-8H,9H2,1H3,(H,20,23)
InChIKeyLZFZUCFQYKDTDQ-UHFFFAOYSA-N
MW378.22 g/mol
LogP4.23
Rot. Bonds5

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

2-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 27211427) has the molecular formula C17H13Cl2N3O3 and a molecular weight of 378.22 g/mol. Its IUPAC name is 2-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID27211427
Molecular FormulaC17H13Cl2N3O3
Molecular Weight378.22 g/mol
Exact Mass377.03
IUPAC Name2-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)Cc2noc(-c3ccc(Cl)c(Cl)c3)n2)cc1
InChIInChI=1S/C17H13Cl2N3O3/c1-24-12-5-3-11(4-6-12)20-16(23)9-15-21-17(25-22-15)10-2-7-13(18)14(19)8-10/h2-8H,9H2,1H3,(H,20,23)
InChIKeyLZFZUCFQYKDTDQ-UHFFFAOYSA-N
XLogP4.23
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.22
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(5-chloro-2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylacetamide
CID 27211491
N-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenylacetamide
CID 50747785
2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-(3-methylbutyl)acetamide
CID 42764937
N-(4-ethoxyphenyl)-2-[5-[3-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]phenyl]-1,2,4-oxadiazol-3-yl]acetamide
CID 166233698
N-(4-methoxyphenyl)-2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 25237937
N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]-2-(4-methoxyphenoxy)acetamide
CID 1336278
[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]methanol
CID 2726656
N-phenyl-2-[5-(2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)-1,2,4-oxadiazol-3-yl]acetamide
CID 120838621
2-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)phenoxy]-N-(4-propan-2-ylphenyl)acetamide
CID 46266818
N-(2-chlorophenyl)-2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]acetamide
CID 27210770
N-(4-acetamidophenyl)-2-(2-chloro-4-methoxyphenyl)acetamide
CID 110770008
N-(3-chloro-4-methoxyphenyl)-2-[[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]methylsulfanyl]acetamide
CID 46367648

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-N-(4-methoxyphenyl)acetamide (CID 27211427) is 2-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)Cc2noc(-c3ccc(Cl)c(Cl)c3)n2)cc1.
What is the InChIKey of 2-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is LZFZUCFQYKDTDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O3/c1-24-12-5-3-11(4-6-12)20-16(23)9-15-21-17(25-22-15)10-2-7-13(18)14(19)8-10/h2-8H,9H2,1H3,(H,20,23).
What are the key properties of 2-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-N-(4-methoxyphenyl)acetamide?
2-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 378.22 g/mol, XLogP of 4.23, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 27211427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).