N-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(4-chlorophenoxy)-N-(2-methylpropyl)acetamide

C23H24ClN3O5 — CID 83280267

IUPACN-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(4-chlorophenoxy)-N-(2-methylpropyl)acetamide
SMILESCC(C)CN(CCc1nc(-c2ccc3c(c2)OCO3)no1)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C23H24ClN3O5/c1-15(2)12-27(22(28)13-29-18-6-4-17(24)5-7-18)10-9-21-25-23(26-32-21)16-3-8-19-20(11-16)31-14-30-19/h3-8,11,15H,9-10,12-14H2,1-2H3
InChIKeyUOEYXQAQEPDJGD-UHFFFAOYSA-N
MW457.91 g/mol
LogP4.22
Rot. Bonds9

About N-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(4-chlorophenoxy)-N-(2-methylpropyl)acetamide

N-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(4-chlorophenoxy)-N-(2-methylpropyl)acetamide (PubChem CID 83280267) has the molecular formula C23H24ClN3O5 and a molecular weight of 457.91 g/mol. Its IUPAC name is N-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(4-chlorophenoxy)-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound NameN-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(4-chlorophenoxy)-N-(2-methylpropyl)acetamide
PubChem CID83280267
Molecular FormulaC23H24ClN3O5
Molecular Weight457.91 g/mol
Exact Mass457.14
IUPAC NameN-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(4-chlorophenoxy)-N-(2-methylpropyl)acetamide
SMILESCC(C)CN(CCc1nc(-c2ccc3c(c2)OCO3)no1)C(=O)COc1ccc(Cl)cc1
InChIInChI=1S/C23H24ClN3O5/c1-15(2)12-27(22(28)13-29-18-6-4-17(24)5-7-18)10-9-21-25-23(26-32-21)16-3-8-19-20(11-16)31-14-30-19/h3-8,11,15H,9-10,12-14H2,1-2H3
InChIKeyUOEYXQAQEPDJGD-UHFFFAOYSA-N
XLogP4.22
TPSA86.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.91
LogP ≤ 54.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-3,3-dimethyl-N-(2-methylpropyl)butanamide
CID 83280256
N-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(2-methylpropyl)-4-(trifluoromethyl)benzamide
CID 83280239
2-(4-chlorophenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-propan-2-ylacetamide
CID 83288719
N-butyl-2-(4-chlorophenoxy)-N-[2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl]acetamide
CID 90488573
methyl 3-[3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]propanoyl-(2-methylpropyl)amino]propanoate
CID 55820097
2-[[2-(4-chlorophenoxy)acetyl]-(2-methylpropyl)amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 42768886
N-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N-propan-2-ylcyclopentanecarboxamide
CID 83280363
N-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N-butan-2-yl-3-phenylpropanamide
CID 83281479
2-(4-chlorophenoxy)-N-methyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 8874634
2-(1,3-benzodioxol-5-yloxy)-N-(2-methylpropyl)-N-(2,2,2-trifluoroethyl)acetamide
CID 78901000
2-(4-chlorophenoxy)-N-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 6485250
2-(4-chlorophenoxy)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 2990154

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(4-chlorophenoxy)-N-(2-methylpropyl)acetamide?
The IUPAC name of N-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(4-chlorophenoxy)-N-(2-methylpropyl)acetamide (CID 83280267) is N-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(4-chlorophenoxy)-N-(2-methylpropyl)acetamide.
What is the SMILES notation for N-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(4-chlorophenoxy)-N-(2-methylpropyl)acetamide?
The canonical SMILES for N-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(4-chlorophenoxy)-N-(2-methylpropyl)acetamide is CC(C)CN(CCc1nc(-c2ccc3c(c2)OCO3)no1)C(=O)COc1ccc(Cl)cc1.
What is the InChIKey of N-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(4-chlorophenoxy)-N-(2-methylpropyl)acetamide?
The InChIKey is UOEYXQAQEPDJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClN3O5/c1-15(2)12-27(22(28)13-29-18-6-4-17(24)5-7-18)10-9-21-25-23(26-32-21)16-3-8-19-20(11-16)31-14-30-19/h3-8,11,15H,9-10,12-14H2,1-2H3.
What are the key properties of N-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(4-chlorophenoxy)-N-(2-methylpropyl)acetamide?
N-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(4-chlorophenoxy)-N-(2-methylpropyl)acetamide has a molecular weight of 457.91 g/mol, XLogP of 4.22, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(4-chlorophenoxy)-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 83280267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).