N-[3-[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-methoxyacetamide

C17H13Cl2N3O3 — CID 35521831

IUPACN-[3-[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cccc(-c2noc(-c3ccc(Cl)cc3Cl)n2)c1
InChIInChI=1S/C17H13Cl2N3O3/c1-24-9-15(23)20-12-4-2-3-10(7-12)16-21-17(25-22-16)13-6-5-11(18)8-14(13)19/h2-8H,9H2,1H3,(H,20,23)
InChIKeyZRYKRIFOBSDQQZ-UHFFFAOYSA-N
MW378.22 g/mol
LogP4.30
Rot. Bonds5

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

N-[3-[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-methoxyacetamide (PubChem CID 35521831) has the molecular formula C17H13Cl2N3O3 and a molecular weight of 378.22 g/mol. Its IUPAC name is N-[3-[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[3-[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-methoxyacetamide
PubChem CID35521831
Molecular FormulaC17H13Cl2N3O3
Molecular Weight378.22 g/mol
Exact Mass377.03
IUPAC NameN-[3-[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-methoxyacetamide
SMILESCOCC(=O)Nc1cccc(-c2noc(-c3ccc(Cl)cc3Cl)n2)c1
InChIInChI=1S/C17H13Cl2N3O3/c1-24-9-15(23)20-12-4-2-3-10(7-12)16-21-17(25-22-16)13-6-5-11(18)8-14(13)19/h2-8H,9H2,1H3,(H,20,23)
InChIKeyZRYKRIFOBSDQQZ-UHFFFAOYSA-N
XLogP4.30
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 ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chlorophenyl)-2-[2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 50746167
2-[3-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide
CID 45032408
3-(2,4-dichlorophenyl)-N-[3-[(2-methoxyacetyl)amino]phenyl]propanamide
CID 55567336
N-(3-chlorophenyl)-2-[3-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 45032369
N-(3-chlorophenyl)-2-[3-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]acetamide
CID 45032393
3-(3-bromophenyl)-5-(2,4-dichlorophenyl)-1,2,4-oxadiazole
CID 8895091
2-[3-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide
CID 45032423
3-chloro-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 46879470
N-[3-(5-chloro-1H-indol-2-yl)phenyl]-2-methoxyacetamide
CID 20970846
1-[4-[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-3-propylurea
CID 46321276
2-methoxy-N-[3-(5-methyl-1H-1,2,4-triazol-3-yl)phenyl]acetamide
CID 60911506
1-[(2R)-butan-2-yl]-3-[3-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 92888791

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-methoxyacetamide?
The IUPAC name of N-[3-[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-methoxyacetamide (CID 35521831) is N-[3-[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-methoxyacetamide.
What is the SMILES notation for N-[3-[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-methoxyacetamide?
The canonical SMILES for N-[3-[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-methoxyacetamide is COCC(=O)Nc1cccc(-c2noc(-c3ccc(Cl)cc3Cl)n2)c1.
What is the InChIKey of N-[3-[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-methoxyacetamide?
The InChIKey is ZRYKRIFOBSDQQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13Cl2N3O3/c1-24-9-15(23)20-12-4-2-3-10(7-12)16-21-17(25-22-16)13-6-5-11(18)8-14(13)19/h2-8H,9H2,1H3,(H,20,23).
What are the key properties of N-[3-[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-methoxyacetamide?
N-[3-[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-methoxyacetamide has a molecular weight of 378.22 g/mol, XLogP of 4.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(2,4-dichlorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-methoxyacetamide is sourced from PubChem (CID 35521831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).