N-[6-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]acetamide

C15H15N3O3 — CID 139412760

IUPACN-[6-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]acetamide
SMILESCC(=O)NC1COc2cc(-c3noc(C4CC4)n3)ccc21
InChIInChI=1S/C15H15N3O3/c1-8(19)16-12-7-20-13-6-10(4-5-11(12)13)14-17-15(21-18-14)9-2-3-9/h4-6,9,12H,2-3,7H2,1H3,(H,16,19)
InChIKeyXAXWVMRBYTVKJS-UHFFFAOYSA-N
MW285.30 g/mol
LogP2.18
Rot. Bonds3

About N-[6-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]acetamide

N-[6-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]acetamide (PubChem CID 139412760) has the molecular formula C15H15N3O3 and a molecular weight of 285.30 g/mol. Its IUPAC name is N-[6-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]acetamide.

Molecular Properties

Compound NameN-[6-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]acetamide
PubChem CID139412760
Molecular FormulaC15H15N3O3
Molecular Weight285.30 g/mol
Exact Mass285.11
IUPAC NameN-[6-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]acetamide
SMILESCC(=O)NC1COc2cc(-c3noc(C4CC4)n3)ccc21
InChIInChI=1S/C15H15N3O3/c1-8(19)16-12-7-20-13-6-10(4-5-11(12)13)14-17-15(21-18-14)9-2-3-9/h4-6,9,12H,2-3,7H2,1H3,(H,16,19)
InChIKeyXAXWVMRBYTVKJS-UHFFFAOYSA-N
XLogP2.18
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.30
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[6-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]carbamate;tert-butyl N-[6-(N'-hydroxycarbamimidoyl)-2,3-dihydro-1-benzofuran-3-yl]carbamate;cyclopropanecarbonyl chloride;triiodide
CID 162266132
N-[4-[3-(1,3-dimethylindazol-6-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]acetamide
CID 153307983
2-methyl-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]-1,3-oxazole-5-carboxamide
CID 139412428
6-methyl-N-[(3S)-6-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]imidazo[1,2-a]pyrazine-3-carboxamide
CID 170957572
3-(hydroxymethyl)-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]benzamide
CID 139412765
N-(6-bromo-2,3-dihydro-1-benzofuran-3-yl)acetamide
CID 165396334
1,3-dimethyl-N-[6-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]pyrazole-4-carboxamide
CID 139412248
N-[(3S)-6-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]-3-hydroxyazetidine-1-carboxamide
CID 139412677
N-(3-acetylphenyl)-4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)benzamide
CID 53057007
N-[5-(5-methyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 139412881
2-(4-acetamidophenyl)-N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 53041723
4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-[(3R)-3,4-dihydro-2H-chromen-3-yl]benzamide
CID 126446922

Frequently Asked Questions

What is the IUPAC name of N-[6-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]acetamide?
The IUPAC name of N-[6-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]acetamide (CID 139412760) is N-[6-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]acetamide.
What is the SMILES notation for N-[6-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]acetamide?
The canonical SMILES for N-[6-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]acetamide is CC(=O)NC1COc2cc(-c3noc(C4CC4)n3)ccc21.
What is the InChIKey of N-[6-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]acetamide?
The InChIKey is XAXWVMRBYTVKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3/c1-8(19)16-12-7-20-13-6-10(4-5-11(12)13)14-17-15(21-18-14)9-2-3-9/h4-6,9,12H,2-3,7H2,1H3,(H,16,19).
What are the key properties of N-[6-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]acetamide?
N-[6-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]acetamide has a molecular weight of 285.30 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1-benzofuran-3-yl]acetamide is sourced from PubChem (CID 139412760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).