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

C17H19N3O4 — CID 16674785

IUPACN-[1-(1,3-benzodioxol-5-yl)cyclopentyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCc1nonc1CC(=O)NC1(c2ccc3c(c2)OCO3)CCCC1
InChIInChI=1S/C17H19N3O4/c1-11-13(20-24-19-11)9-16(21)18-17(6-2-3-7-17)12-4-5-14-15(8-12)23-10-22-14/h4-5,8H,2-3,6-7,9-10H2,1H3,(H,18,21)
InChIKeyAYXIAXVEQLEFPB-UHFFFAOYSA-N
MW329.36 g/mol
LogP2.23
Rot. Bonds4

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

N-[1-(1,3-benzodioxol-5-yl)cyclopentyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (PubChem CID 16674785) has the molecular formula C17H19N3O4 and a molecular weight of 329.36 g/mol. Its IUPAC name is N-[1-(1,3-benzodioxol-5-yl)cyclopentyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[1-(1,3-benzodioxol-5-yl)cyclopentyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
PubChem CID16674785
Molecular FormulaC17H19N3O4
Molecular Weight329.36 g/mol
Exact Mass329.14
IUPAC NameN-[1-(1,3-benzodioxol-5-yl)cyclopentyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
SMILESCc1nonc1CC(=O)NC1(c2ccc3c(c2)OCO3)CCCC1
InChIInChI=1S/C17H19N3O4/c1-11-13(20-24-19-11)9-16(21)18-17(6-2-3-7-17)12-4-5-14-15(8-12)23-10-22-14/h4-5,8H,2-3,6-7,9-10H2,1H3,(H,18,21)
InChIKeyAYXIAXVEQLEFPB-UHFFFAOYSA-N
XLogP2.23
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(3-methoxyphenyl)cyclopentyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 16674747
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]propanamide
CID 113091236
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide
CID 91781696
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-3-hydroxy-3-phenylbutanamide
CID 126793335
ethyl 2-[[1-(1,3-benzodioxol-5-yl)cyclobutyl]amino]pyrimidine-5-carboxylate
CID 129033000
2-chloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]acetamide
CID 146106549
3-(1,3-benzodioxol-5-yl)-N-[1-(5-methyl-1,2,4-oxadiazol-3-yl)cyclohexyl]propanamide
CID 31164348
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-(6-oxopiperidin-2-yl)acetamide
CID 126801193
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopropyl]pentanamide
CID 113091240
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-2-pyridin-2-ylsulfanylacetamide
CID 41479313
2-[(3-cyano-4,6-dimethyl-2-pyridinyl)sulfanyl]-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]acetamide
CID 24557148
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)cyclopentyl]-4-pyridin-2-ylbutanamide
CID 126770794

Frequently Asked Questions

What is the IUPAC name of N-[1-(1,3-benzodioxol-5-yl)cyclopentyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The IUPAC name of N-[1-(1,3-benzodioxol-5-yl)cyclopentyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide (CID 16674785) is N-[1-(1,3-benzodioxol-5-yl)cyclopentyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide.
What is the SMILES notation for N-[1-(1,3-benzodioxol-5-yl)cyclopentyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The canonical SMILES for N-[1-(1,3-benzodioxol-5-yl)cyclopentyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is Cc1nonc1CC(=O)NC1(c2ccc3c(c2)OCO3)CCCC1.
What is the InChIKey of N-[1-(1,3-benzodioxol-5-yl)cyclopentyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
The InChIKey is AYXIAXVEQLEFPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N3O4/c1-11-13(20-24-19-11)9-16(21)18-17(6-2-3-7-17)12-4-5-14-15(8-12)23-10-22-14/h4-5,8H,2-3,6-7,9-10H2,1H3,(H,18,21).
What are the key properties of N-[1-(1,3-benzodioxol-5-yl)cyclopentyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide?
N-[1-(1,3-benzodioxol-5-yl)cyclopentyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide has a molecular weight of 329.36 g/mol, XLogP of 2.23, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1,3-benzodioxol-5-yl)cyclopentyl]-2-(4-methyl-1,2,5-oxadiazol-3-yl)acetamide is sourced from PubChem (CID 16674785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).