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

C20H25N3O4 — CID 83280363

IUPACN-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N-propan-2-ylcyclopentanecarboxamide
SMILESCC(C)N(CCc1nc(-c2ccc3c(c2)OCO3)no1)C(=O)C1CCCC1
InChIInChI=1S/C20H25N3O4/c1-13(2)23(20(24)14-5-3-4-6-14)10-9-18-21-19(22-27-18)15-7-8-16-17(11-15)26-12-25-16/h7-8,11,13-14H,3-6,9-10,12H2,1-2H3
InChIKeyJOXSPRBDEZTCBM-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.43
Rot. Bonds6

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

N-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N-propan-2-ylcyclopentanecarboxamide (PubChem CID 83280363) has the molecular formula C20H25N3O4 and a molecular weight of 371.44 g/mol. Its IUPAC name is N-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N-propan-2-ylcyclopentanecarboxamide.

Molecular Properties

Compound NameN-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N-propan-2-ylcyclopentanecarboxamide
PubChem CID83280363
Molecular FormulaC20H25N3O4
Molecular Weight371.44 g/mol
Exact Mass371.18
IUPAC NameN-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N-propan-2-ylcyclopentanecarboxamide
SMILESCC(C)N(CCc1nc(-c2ccc3c(c2)OCO3)no1)C(=O)C1CCCC1
InChIInChI=1S/C20H25N3O4/c1-13(2)23(20(24)14-5-3-4-6-14)10-9-18-21-19(22-27-18)15-7-8-16-17(11-15)26-12-25-16/h7-8,11,13-14H,3-6,9-10,12H2,1-2H3
InChIKeyJOXSPRBDEZTCBM-UHFFFAOYSA-N
XLogP3.43
TPSA77.69 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N-butan-2-yl-3-phenylpropanamide
CID 83281479
N-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N-cyclohexyl-2-phenylmethoxyacetamide
CID 83289884
N-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(2-methylpropyl)-4-(trifluoromethyl)benzamide
CID 83280239
N-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-2-(4-chlorophenoxy)-N-(2-methylpropyl)acetamide
CID 83280267
3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2,4-oxadiazol-5-yl]propanoic acid
CID 28806185
N-benzyl-N-[2-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentanecarboxamide
CID 46129149
[(3R)-1-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-3-yl]-phenylmethanone
CID 26316620
(2R)-1-[[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpyrrolidine-2-carboxamide
CID 95298703
N-butyl-N-[2-[3-(4-nitrophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclopentanecarboxamide
CID 90488582
N-cyclohexyl-N-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,3-benzodioxole-5-carboxamide
CID 8875131
3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazole-5-carboxylic acid
CID 28806099
(1S,2S,3S,4R)-3-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-propylbicyclo[2.2.1]heptane-2-carboxamide
CID 171336985

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-propan-2-ylcyclopentanecarboxamide?
The IUPAC name of N-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N-propan-2-ylcyclopentanecarboxamide (CID 83280363) is N-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N-propan-2-ylcyclopentanecarboxamide.
What is the SMILES notation for N-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N-propan-2-ylcyclopentanecarboxamide?
The canonical SMILES for N-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N-propan-2-ylcyclopentanecarboxamide is CC(C)N(CCc1nc(-c2ccc3c(c2)OCO3)no1)C(=O)C1CCCC1.
What is the InChIKey of N-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N-propan-2-ylcyclopentanecarboxamide?
The InChIKey is JOXSPRBDEZTCBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O4/c1-13(2)23(20(24)14-5-3-4-6-14)10-9-18-21-19(22-27-18)15-7-8-16-17(11-15)26-12-25-16/h7-8,11,13-14H,3-6,9-10,12H2,1-2H3.
What are the key properties of N-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N-propan-2-ylcyclopentanecarboxamide?
N-[2-[3-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-5-yl]ethyl]-N-propan-2-ylcyclopentanecarboxamide has a molecular weight of 371.44 g/mol, XLogP of 3.43, 6 rotatable bonds, 0 hydrogen bond donors, and 6 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-propan-2-ylcyclopentanecarboxamide is sourced from PubChem (CID 83280363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).