2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;oxalic acid

C24H24N4O6 — CID 71783664

IUPAC2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;oxalic acid
SMILESO=C(CN1CC(c2nc(Cc3ccccc3)no2)C1)N1CCc2ccccc21.O=C(O)C(=O)O
InChIInChI=1S/C22H22N4O2.C2H2O4/c27-21(26-11-10-17-8-4-5-9-19(17)26)15-25-13-18(14-25)22-23-20(24-28-22)12-16-6-2-1-3-7-16;3-1(4)2(5)6/h1-9,18H,10-15H2;(H,3,4)(H,5,6)
InChIKeyGIDDDPGUEZMGJO-UHFFFAOYSA-N
MW464.48 g/mol
LogP1.80
Rot. Bonds5

About 2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;oxalic acid

2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;oxalic acid (PubChem CID 71783664) has the molecular formula C24H24N4O6 and a molecular weight of 464.48 g/mol. Its IUPAC name is 2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;oxalic acid.

Molecular Properties

Compound Name2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;oxalic acid
PubChem CID71783664
Molecular FormulaC24H24N4O6
Molecular Weight464.48 g/mol
Exact Mass464.17
IUPAC Name2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;oxalic acid
SMILESO=C(CN1CC(c2nc(Cc3ccccc3)no2)C1)N1CCc2ccccc21.O=C(O)C(=O)O
InChIInChI=1S/C22H22N4O2.C2H2O4/c27-21(26-11-10-17-8-4-5-9-19(17)26)15-25-13-18(14-25)22-23-20(24-28-22)12-16-6-2-1-3-7-16;3-1(4)2(5)6/h1-9,18H,10-15H2;(H,3,4)(H,5,6)
InChIKeyGIDDDPGUEZMGJO-UHFFFAOYSA-N
XLogP1.80
TPSA137.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.48
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

1-(2,3-dihydroindol-1-yl)-2-[3-(3-methyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone;oxalic acid
CID 71783895
1-(2,3-dihydroindol-1-yl)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone
CID 90509084
3-benzyl-5-[1-(pyridin-3-ylmethyl)azetidin-3-yl]-1,2,4-oxadiazole;oxalic acid
CID 71783714
1-(2,3-dihydroindol-1-yl)-2-(2,6-dimethylmorpholin-4-yl)ethanone
CID 78790849
1-(2,3-dihydroindol-1-yl)-2-(3-hydroxyazetidin-1-yl)ethanone
CID 63282171
1-(3,4-dihydro-2H-quinolin-1-yl)-2-[3-(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]ethanone
CID 71784273
[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-(4-fluorophenyl)methanone
CID 121092950
4-(3-benzyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-one
CID 55201043
1-(2,3-dihydroindol-1-yl)-2-[(3R,4R)-3-hydroxy-4-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-1-yl]ethanone
CID 135113637
1-(2,3-dihydroindol-1-yl)-2-(3,6-dihydro-2H-pyridin-1-yl)ethanone
CID 171326862
[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-(4-phenoxyphenyl)methanone
CID 121093064
[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-(4-piperidin-1-ylsulfonylphenyl)methanone
CID 121093018

Frequently Asked Questions

What is the IUPAC name of 2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;oxalic acid?
The IUPAC name of 2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;oxalic acid (CID 71783664) is 2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;oxalic acid.
What is the SMILES notation for 2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;oxalic acid?
The canonical SMILES for 2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;oxalic acid is O=C(CN1CC(c2nc(Cc3ccccc3)no2)C1)N1CCc2ccccc21.O=C(O)C(=O)O.
What is the InChIKey of 2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;oxalic acid?
The InChIKey is GIDDDPGUEZMGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4O2.C2H2O4/c27-21(26-11-10-17-8-4-5-9-19(17)26)15-25-13-18(14-25)22-23-20(24-28-22)12-16-6-2-1-3-7-16;3-1(4)2(5)6/h1-9,18H,10-15H2;(H,3,4)(H,5,6).
What are the key properties of 2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;oxalic acid?
2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;oxalic acid has a molecular weight of 464.48 g/mol, XLogP of 1.80, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;oxalic acid is sourced from PubChem (CID 71783664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).