N-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N-cyclohexyl-2-phenylmethoxyacetamide

C26H29N3O5 — CID 83289884

IUPACN-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N-cyclohexyl-2-phenylmethoxyacetamide
SMILESO=C(COCc1ccccc1)N(CCc1nc(-c2ccc3c(c2)OCO3)no1)C1CCCCC1
InChIInChI=1S/C26H29N3O5/c30-25(17-31-16-19-7-3-1-4-8-19)29(21-9-5-2-6-10-21)14-13-24-27-26(28-34-24)20-11-12-22-23(15-20)33-18-32-22/h1,3-4,7-8,11-12,15,21H,2,5-6,9-10,13-14,16-18H2
InChIKeyWZXWZBKVKLOPDL-UHFFFAOYSA-N
MW463.53 g/mol
LogP4.39
Rot. Bonds9

About N-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N-cyclohexyl-2-phenylmethoxyacetamide

N-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N-cyclohexyl-2-phenylmethoxyacetamide (PubChem CID 83289884) has the molecular formula C26H29N3O5 and a molecular weight of 463.53 g/mol. Its IUPAC name is N-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N-cyclohexyl-2-phenylmethoxyacetamide.

Molecular Properties

Compound NameN-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N-cyclohexyl-2-phenylmethoxyacetamide
PubChem CID83289884
Molecular FormulaC26H29N3O5
Molecular Weight463.53 g/mol
Exact Mass463.21
IUPAC NameN-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N-cyclohexyl-2-phenylmethoxyacetamide
SMILESO=C(COCc1ccccc1)N(CCc1nc(-c2ccc3c(c2)OCO3)no1)C1CCCCC1
InChIInChI=1S/C26H29N3O5/c30-25(17-31-16-19-7-3-1-4-8-19)29(21-9-5-2-6-10-21)14-13-24-27-26(28-34-24)20-11-12-22-23(15-20)33-18-32-22/h1,3-4,7-8,11-12,15,21H,2,5-6,9-10,13-14,16-18H2
InChIKeyWZXWZBKVKLOPDL-UHFFFAOYSA-N
XLogP4.39
TPSA86.92 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.53
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-cyclohexyl-3-phenyl-N-[2-[3-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]propanamide
CID 83289080
N-benzyl-2-phenylmethoxy-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 83289891
N-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N-butan-2-yl-3-phenylpropanamide
CID 83281479
N-cyclohexyl-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzamide
CID 83285265
N-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N-benzyl-4-(trifluoromethyl)benzamide
CID 83290392
N-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N-propan-2-ylcyclopentanecarboxamide
CID 83280363
N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-N-(2-phenylethyl)-2-phenylmethoxyacetamide
CID 83283230
N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(2-phenylethyl)-2-phenylmethoxyacetamide
CID 83284666
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-cyclohexyl-2-(4-fluorophenyl)acetamide
CID 83289864
N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-cyclohexylfuran-2-carboxamide
CID 83279040
N-cyclohexyl-N-[2-[3-[4-(dimethylamino)phenyl]-1,2,4-oxadiazol-5-yl]ethyl]-3-methylbutanamide
CID 83283215
N-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 8875131

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N-cyclohexyl-2-phenylmethoxyacetamide?
The IUPAC name of N-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N-cyclohexyl-2-phenylmethoxyacetamide (CID 83289884) is N-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N-cyclohexyl-2-phenylmethoxyacetamide.
What is the SMILES notation for N-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N-cyclohexyl-2-phenylmethoxyacetamide?
The canonical SMILES for N-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N-cyclohexyl-2-phenylmethoxyacetamide is O=C(COCc1ccccc1)N(CCc1nc(-c2ccc3c(c2)OCO3)no1)C1CCCCC1.
What is the InChIKey of N-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N-cyclohexyl-2-phenylmethoxyacetamide?
The InChIKey is WZXWZBKVKLOPDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5/c30-25(17-31-16-19-7-3-1-4-8-19)29(21-9-5-2-6-10-21)14-13-24-27-26(28-34-24)20-11-12-22-23(15-20)33-18-32-22/h1,3-4,7-8,11-12,15,21H,2,5-6,9-10,13-14,16-18H2.
What are the key properties of N-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N-cyclohexyl-2-phenylmethoxyacetamide?
N-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N-cyclohexyl-2-phenylmethoxyacetamide has a molecular weight of 463.53 g/mol, XLogP of 4.39, 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]-N-cyclohexyl-2-phenylmethoxyacetamide is sourced from PubChem (CID 83289884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).