N-[[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide

C21H19N3O4 — CID 97126062

IUPACN-[[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESO=C(C[C@H]1CCc2ccccc21)NCc1noc(-c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C21H19N3O4/c25-20(10-14-6-5-13-3-1-2-4-16(13)14)22-11-19-23-21(28-24-19)15-7-8-17-18(9-15)27-12-26-17/h1-4,7-9,14H,5-6,10-12H2,(H,22,25)/t14-/m1/s1
InChIKeyPZRNWCJNXPRFJT-CQSZACIVSA-N
MW377.40 g/mol
LogP3.20
Rot. Bonds5

About N-[[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide

N-[[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide (PubChem CID 97126062) has the molecular formula C21H19N3O4 and a molecular weight of 377.40 g/mol. Its IUPAC name is N-[[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide.

Molecular Properties

Compound NameN-[[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide
PubChem CID97126062
Molecular FormulaC21H19N3O4
Molecular Weight377.40 g/mol
Exact Mass377.14
IUPAC NameN-[[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide
SMILESO=C(C[C@H]1CCc2ccccc21)NCc1noc(-c2ccc3c(c2)OCO3)n1
InChIInChI=1S/C21H19N3O4/c25-20(10-14-6-5-13-3-1-2-4-16(13)14)22-11-19-23-21(28-24-19)15-7-8-17-18(9-15)27-12-26-17/h1-4,7-9,14H,5-6,10-12H2,(H,22,25)/t14-/m1/s1
InChIKeyPZRNWCJNXPRFJT-CQSZACIVSA-N
XLogP3.20
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.40
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(1R)-2,3-dihydro-1H-inden-1-yl]-N-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 97114693
N-[[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-4-(1,2,4-triazol-1-yl)butanamide
CID 135112950
N-(2,1,3-benzoxadiazol-5-ylmethyl)-2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 97113053
N-[[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methylsulfamoyl]-1-phenylmethanamine
CID 56909311
2-(2,3-dihydro-1H-inden-1-yl)-N-[(2-fluorophenyl)methyl]acetamide
CID 72911353
N-[2-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)ethyl]-2-[(1S)-2,3-dihydro-1H-inden-1-yl]acetamide
CID 97109779
N-[(5-tert-butyl-1,2,4-oxadiazol-3-yl)methyl]-2-(3,4-dihydro-1H-isochromen-4-yl)acetamide
CID 155959114
N-[[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-6-oxo-2-propan-2-yl-1H-pyridine-3-carboxamide
CID 157012402
2-[(1S)-2,3-dihydro-1H-inden-1-yl]-N-[[3-(3-methoxyphenyl)-1,2-oxazol-5-yl]methyl]acetamide
CID 97127802
3-[[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methylamino]-1-(3-methylpiperidin-1-yl)propan-1-one
CID 50981196
N-[[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-5-methoxy-1-methyl-1,2,4-triazole-3-carboxamide
CID 157014661
2-(2,3-dihydro-1H-inden-1-yl)-N-[[4-(hydroxymethyl)phenyl]methyl]acetamide
CID 77089339

Frequently Asked Questions

What is the IUPAC name of N-[[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide?
The IUPAC name of N-[[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide (CID 97126062) is N-[[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide.
What is the SMILES notation for N-[[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide?
The canonical SMILES for N-[[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide is O=C(C[C@H]1CCc2ccccc21)NCc1noc(-c2ccc3c(c2)OCO3)n1.
What is the InChIKey of N-[[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide?
The InChIKey is PZRNWCJNXPRFJT-CQSZACIVSA-N. The full InChI is InChI=1S/C21H19N3O4/c25-20(10-14-6-5-13-3-1-2-4-16(13)14)22-11-19-23-21(28-24-19)15-7-8-17-18(9-15)27-12-26-17/h1-4,7-9,14H,5-6,10-12H2,(H,22,25)/t14-/m1/s1.
What are the key properties of N-[[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide?
N-[[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide has a molecular weight of 377.40 g/mol, XLogP of 3.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-yl]methyl]-2-[(1R)-2,3-dihydro-1H-inden-1-yl]acetamide is sourced from PubChem (CID 97126062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).