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

C20H18Cl3N3O3 — CID 55361158

IUPACN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2,4-dichlorophenoxy)-N-propylacetamide
SMILESCCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H18Cl3N3O3/c1-2-9-26(19(27)12-28-17-8-7-13(21)10-16(17)23)11-18-24-25-20(29-18)14-5-3-4-6-15(14)22/h3-8,10H,2,9,11-12H2,1H3
InChIKeyXORKTRNKWFCFRP-UHFFFAOYSA-N
MW454.74 g/mol
LogP5.51
Rot. Bonds8

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

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2,4-dichlorophenoxy)-N-propylacetamide (PubChem CID 55361158) 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-propylacetamide.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2,4-dichlorophenoxy)-N-propylacetamide
PubChem CID55361158
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-propylacetamide
SMILESCCCN(Cc1nnc(-c2ccccc2Cl)o1)C(=O)COc1ccc(Cl)cc1Cl
InChIInChI=1S/C20H18Cl3N3O3/c1-2-9-26(19(27)12-28-17-8-7-13(21)10-16(17)23)11-18-24-25-20(29-18)14-5-3-4-6-15(14)22/h3-8,10H,2,9,11-12H2,1H3
InChIKeyXORKTRNKWFCFRP-UHFFFAOYSA-N
XLogP5.51
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
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

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2,4-dichlorophenoxy)-N-propan-2-ylacetamide
CID 55332629
2-(4-bromophenoxy)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylacetamide
CID 55361069
2-(4-chloro-2-methylphenoxy)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propan-2-ylacetamide
CID 112794827
2-[(4-chlorophenyl)methylsulfanyl]-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylacetamide
CID 55361355
5-bromo-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-fluoro-N-propylbenzamide
CID 55361219
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2,2-diphenyl-N-propylacetamide
CID 55361278
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-5-methyl-N-propylpyrazine-2-carboxamide
CID 55361279
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(4-nitrophenyl)-N-propylacetamide
CID 55361092
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propylthiophene-2-carboxamide
CID 78788619
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-4-(phenoxymethyl)-N-propylbenzamide
CID 24684596
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)-N-propylacetamide
CID 55870987
2-(4-chlorophenyl)-N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-propyl-1,3-thiazole-4-carboxamide
CID 55432986

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-propylacetamide?
The IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2,4-dichlorophenoxy)-N-propylacetamide (CID 55361158) is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2,4-dichlorophenoxy)-N-propylacetamide.
What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2,4-dichlorophenoxy)-N-propylacetamide?
The canonical SMILES for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2,4-dichlorophenoxy)-N-propylacetamide is CCCN(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-propylacetamide?
The InChIKey is XORKTRNKWFCFRP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18Cl3N3O3/c1-2-9-26(19(27)12-28-17-8-7-13(21)10-16(17)23)11-18-24-25-20(29-18)14-5-3-4-6-15(14)22/h3-8,10H,2,9,11-12H2,1H3.
What are the key properties of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2,4-dichlorophenoxy)-N-propylacetamide?
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-(2,4-dichlorophenoxy)-N-propylacetamide has a molecular weight of 454.74 g/mol, XLogP of 5.51, 8 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-propylacetamide is sourced from PubChem (CID 55361158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).