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

C19H17Cl2N3O3 — CID 43973670

IUPAC2-(2,4-dichlorophenoxy)-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
SMILESCCc1ccc(Cc2nnc(NC(=O)COc3ccc(Cl)cc3Cl)o2)cc1
InChIInChI=1S/C19H17Cl2N3O3/c1-2-12-3-5-13(6-4-12)9-18-23-24-19(27-18)22-17(25)11-26-16-8-7-14(20)10-15(16)21/h3-8,10H,2,9,11H2,1H3,(H,22,24,25)
InChIKeyNJDNFNNJLCQOIP-UHFFFAOYSA-N
MW406.27 g/mol
LogP4.55
Rot. Bonds7

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

2-(2,4-dichlorophenoxy)-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 43973670) has the molecular formula C19H17Cl2N3O3 and a molecular weight of 406.27 g/mol. Its IUPAC name is 2-(2,4-dichlorophenoxy)-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(2,4-dichlorophenoxy)-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID43973670
Molecular FormulaC19H17Cl2N3O3
Molecular Weight406.27 g/mol
Exact Mass405.06
IUPAC Name2-(2,4-dichlorophenoxy)-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
SMILESCCc1ccc(Cc2nnc(NC(=O)COc3ccc(Cl)cc3Cl)o2)cc1
InChIInChI=1S/C19H17Cl2N3O3/c1-2-12-3-5-13(6-4-12)9-18-23-24-19(27-18)22-17(25)11-26-16-8-7-14(20)10-15(16)21/h3-8,10H,2,9,11H2,1H3,(H,22,24,25)
InChIKeyNJDNFNNJLCQOIP-UHFFFAOYSA-N
XLogP4.55
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.27
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2,4-dichlorophenoxy)-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2,4-dichlorophenoxy)-N-[5-(2,2-dimethylpropyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 46943243
4-chloro-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43973708
2-(2,4-dichlorophenoxy)-N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 8698844
3-chloro-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43973710
N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-2-(2-fluorophenoxy)acetamide
CID 43975327
2-[[5-[3-(2,4-dichlorophenoxy)propyl]-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(4-ethylphenyl)acetamide
CID 126024127
2-phenoxy-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43973535
2,5-dichloro-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43975298
2-(3-methoxyphenoxy)-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43973150
2-(3-methoxyphenoxy)-N-[5-[(4-propan-2-ylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43973422
methyl 4-[[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate
CID 43973752
N-(4-acetamidophenyl)-2-(2,4-dichlorophenoxy)acetamide
CID 1039828

Frequently Asked Questions

What is the IUPAC name of 2-(2,4-dichlorophenoxy)-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-(2,4-dichlorophenoxy)-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide (CID 43973670) is 2-(2,4-dichlorophenoxy)-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(2,4-dichlorophenoxy)-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-(2,4-dichlorophenoxy)-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide is CCc1ccc(Cc2nnc(NC(=O)COc3ccc(Cl)cc3Cl)o2)cc1.
What is the InChIKey of 2-(2,4-dichlorophenoxy)-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is NJDNFNNJLCQOIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O3/c1-2-12-3-5-13(6-4-12)9-18-23-24-19(27-18)22-17(25)11-26-16-8-7-14(20)10-15(16)21/h3-8,10H,2,9,11H2,1H3,(H,22,24,25).
What are the key properties of 2-(2,4-dichlorophenoxy)-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide?
2-(2,4-dichlorophenoxy)-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 406.27 g/mol, XLogP of 4.55, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-dichlorophenoxy)-N-[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 43973670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).