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

C21H16Cl3N3O4 — CID 142586447

IUPACN-[3-[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]cyclobut-2-en-1-yl]-2-(3,4-dichlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)c(Cl)c1)NC1C=C(c2nnc(COc3ccc(Cl)cc3)o2)C1
InChIInChI=1S/C21H16Cl3N3O4/c22-13-1-3-15(4-2-13)30-11-20-26-27-21(31-20)12-7-14(8-12)25-19(28)10-29-16-5-6-17(23)18(24)9-16/h1-7,9,14H,8,10-11H2,(H,25,28)
InChIKeyBBKXRDVNTLTSJQ-UHFFFAOYSA-N
MW480.74 g/mol
LogP4.96
Rot. Bonds8

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

N-[3-[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]cyclobut-2-en-1-yl]-2-(3,4-dichlorophenoxy)acetamide (PubChem CID 142586447) has the molecular formula C21H16Cl3N3O4 and a molecular weight of 480.74 g/mol. Its IUPAC name is N-[3-[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]cyclobut-2-en-1-yl]-2-(3,4-dichlorophenoxy)acetamide.

Molecular Properties

Compound NameN-[3-[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]cyclobut-2-en-1-yl]-2-(3,4-dichlorophenoxy)acetamide
PubChem CID142586447
Molecular FormulaC21H16Cl3N3O4
Molecular Weight480.74 g/mol
Exact Mass479.02
IUPAC NameN-[3-[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]cyclobut-2-en-1-yl]-2-(3,4-dichlorophenoxy)acetamide
SMILESO=C(COc1ccc(Cl)c(Cl)c1)NC1C=C(c2nnc(COc3ccc(Cl)cc3)o2)C1
InChIInChI=1S/C21H16Cl3N3O4/c22-13-1-3-15(4-2-13)30-11-20-26-27-21(31-20)12-7-14(8-12)25-19(28)10-29-16-5-6-17(23)18(24)9-16/h1-7,9,14H,8,10-11H2,(H,25,28)
InChIKeyBBKXRDVNTLTSJQ-UHFFFAOYSA-N
XLogP4.96
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.74
LogP ≤ 54.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[3-[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]cyclobut-2-en-1-yl]-2-(3,4-dichlorophenoxy)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-(4-chloro-3-fluorophenoxy)-N-[3-[5-[(1S)-2,2-difluorocyclopropyl]-1,3,4-oxadiazol-2-yl]cyclobut-2-en-1-yl]acetamide
CID 167268216
2-(4-chloro-3-fluorophenoxy)-N-[4-[5-[(4-chloro-3-fluorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]cyclohexyl]acetamide
CID 165399649
N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]-2-(3,4-dichlorophenoxy)acetamide
CID 46596758
methyl 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]benzoate
CID 7671554
2-(4-chlorophenoxy)-N-[3-[5-[(4-methylphenoxy)methyl]-1,3,4-oxadiazol-2-yl]-1-bicyclo[1.1.1]pentanyl]acetamide
CID 154979227
2-(4-chlorophenoxy)-N-[1-(3,4-dichlorobenzoyl)piperidin-4-yl]acetamide
CID 108554297
2-(3,4-dichlorophenoxy)-N-[[(3S,4R)-4-[[[2-(3,4-dichlorophenoxy)acetyl]amino]methyl]oxolan-3-yl]methyl]acetamide
CID 146366190
N-[2-[4-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methoxy]anilino]-2-oxoethyl]-4-methylbenzamide
CID 50844071
[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl 2-(3,4-dimethylphenoxy)acetate
CID 8922243
2-[(3,4-dichlorophenoxy)methyl]-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 110655671
2-(3,4-dichlorophenoxy)-N-piperidin-4-ylacetamide;hydrochloride
CID 119386912
2-(3,4-dichlorophenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 46828800

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]cyclobut-2-en-1-yl]-2-(3,4-dichlorophenoxy)acetamide?
The IUPAC name of N-[3-[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]cyclobut-2-en-1-yl]-2-(3,4-dichlorophenoxy)acetamide (CID 142586447) is N-[3-[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]cyclobut-2-en-1-yl]-2-(3,4-dichlorophenoxy)acetamide.
What is the SMILES notation for N-[3-[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]cyclobut-2-en-1-yl]-2-(3,4-dichlorophenoxy)acetamide?
The canonical SMILES for N-[3-[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]cyclobut-2-en-1-yl]-2-(3,4-dichlorophenoxy)acetamide is O=C(COc1ccc(Cl)c(Cl)c1)NC1C=C(c2nnc(COc3ccc(Cl)cc3)o2)C1.
What is the InChIKey of N-[3-[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]cyclobut-2-en-1-yl]-2-(3,4-dichlorophenoxy)acetamide?
The InChIKey is BBKXRDVNTLTSJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16Cl3N3O4/c22-13-1-3-15(4-2-13)30-11-20-26-27-21(31-20)12-7-14(8-12)25-19(28)10-29-16-5-6-17(23)18(24)9-16/h1-7,9,14H,8,10-11H2,(H,25,28).
What are the key properties of N-[3-[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]cyclobut-2-en-1-yl]-2-(3,4-dichlorophenoxy)acetamide?
N-[3-[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]cyclobut-2-en-1-yl]-2-(3,4-dichlorophenoxy)acetamide has a molecular weight of 480.74 g/mol, XLogP of 4.96, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[(4-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]cyclobut-2-en-1-yl]-2-(3,4-dichlorophenoxy)acetamide is sourced from PubChem (CID 142586447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).