N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2,4-dichlorophenoxy)-N-propan-2-ylacetamide

C20H18Cl3N3O3 — CID 55332629

IUPACN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2,4-dichlorophenoxy)-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H18Cl3N3O3/c1-12(2)26(19(27)11-28-17-8-7-13(21)9-16(17)23)10-18-24-25-20(29-18)14-5-3-4-6-15(14)22/h3-9,12H,10-11H2,1-2H3
InChIKeyAFSJTKXOMGXTJA-UHFFFAOYSA-N
MW454.74 g/mol
LogP5.51
Rot. Bonds7

About N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2,4-dichlorophenoxy)-N-propan-2-ylacetamide

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2,4-dichlorophenoxy)-N-propan-2-ylacetamide (PubChem CID 55332629) has the molecular formula C20H18Cl3N3O3 and a molecular weight of 454.74 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2,4-dichlorophenoxy)-N-propan-2-ylacetamide.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2,4-dichlorophenoxy)-N-propan-2-ylacetamide
PubChem CID55332629
Molecular FormulaC20H18Cl3N3O3
Molecular Weight454.74 g/mol
Exact Mass453.04
IUPAC NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2,4-dichlorophenoxy)-N-propan-2-ylacetamide
SMILESCC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H18Cl3N3O3/c1-12(2)26(19(27)11-28-17-8-7-13(21)9-16(17)23)10-18-24-25-20(29-18)14-5-3-4-6-15(14)22/h3-9,12H,10-11H2,1-2H3
InChIKeyAFSJTKXOMGXTJA-UHFFFAOYSA-N
XLogP5.51
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.74
LogP ≤ 55.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-2-methylphenoxy)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-ylacetamide
CID 112794827
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2,4-dichlorophenoxy)-N-propylacetamide
CID 55361158
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2-phenoxyethoxy)-N-propan-2-ylacetamide
CID 55758153
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(4-methylphenyl)-N-propan-2-ylacetamide
CID 16563213
4-(4-chloro-3-methylphenoxy)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-ylbutanamide
CID 112794817
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-(4-fluorophenoxy)-N-propan-2-ylbutanamide
CID 78843426
5-bromo-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluoro-N-propan-2-ylbenzamide
CID 112794809
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2,3-dihydro-1H-inden-5-yl)-N-propan-2-ylacetamide
CID 8890866
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-2-[4-(trifluoromethoxy)phenyl]acetamide
CID 55758034
N-[4-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-propan-2-ylamino]-4-oxobutyl]-2-ethoxybenzamide
CID 55427122
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-yl-1-benzofuran-2-carboxamide
CID 8698129
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylacetamide
CID 8557942

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2,4-dichlorophenoxy)-N-propan-2-ylacetamide?
The IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2,4-dichlorophenoxy)-N-propan-2-ylacetamide (CID 55332629) is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2,4-dichlorophenoxy)-N-propan-2-ylacetamide.
What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2,4-dichlorophenoxy)-N-propan-2-ylacetamide?
The canonical SMILES for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2,4-dichlorophenoxy)-N-propan-2-ylacetamide is CC(C)N(Cc1nnc(-c2ccccc2Cl)o1)C(=O)COc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2,4-dichlorophenoxy)-N-propan-2-ylacetamide?
The InChIKey is AFSJTKXOMGXTJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl3N3O3/c1-12(2)26(19(27)11-28-17-8-7-13(21)9-16(17)23)10-18-24-25-20(29-18)14-5-3-4-6-15(14)22/h3-9,12H,10-11H2,1-2H3.
What are the key properties of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2,4-dichlorophenoxy)-N-propan-2-ylacetamide?
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2,4-dichlorophenoxy)-N-propan-2-ylacetamide has a molecular weight of 454.74 g/mol, XLogP of 5.51, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2,4-dichlorophenoxy)-N-propan-2-ylacetamide is sourced from PubChem (CID 55332629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).