1-(2,3-dihydroindol-1-yl)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone

C19H18N4O3 — CID 90509084

IUPAC1-(2,3-dihydroindol-1-yl)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone
SMILESO=C(CN1CC(c2nc(-c3ccco3)no2)C1)N1CCc2ccccc21
InChIInChI=1S/C19H18N4O3/c24-17(23-8-7-13-4-1-2-5-15(13)23)12-22-10-14(11-22)19-20-18(21-26-19)16-6-3-9-25-16/h1-6,9,14H,7-8,10-12H2
InChIKeyNEWNRJSFIWGZNP-UHFFFAOYSA-N
MW350.38 g/mol
LogP2.32
Rot. Bonds4

About 1-(2,3-dihydroindol-1-yl)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone

1-(2,3-dihydroindol-1-yl)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone (PubChem CID 90509084) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is 1-(2,3-dihydroindol-1-yl)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone.

Molecular Properties

Compound Name1-(2,3-dihydroindol-1-yl)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone
PubChem CID90509084
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC Name1-(2,3-dihydroindol-1-yl)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone
SMILESO=C(CN1CC(c2nc(-c3ccco3)no2)C1)N1CCc2ccccc21
InChIInChI=1S/C19H18N4O3/c24-17(23-8-7-13-4-1-2-5-15(13)23)12-22-10-14(11-22)19-20-18(21-26-19)16-6-3-9-25-16/h1-6,9,14H,7-8,10-12H2
InChIKeyNEWNRJSFIWGZNP-UHFFFAOYSA-N
XLogP2.32
TPSA75.61 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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
2-[3-(3-benzyl-1,2,4-oxadiazol-5-yl)azetidin-1-yl]-1-(2,3-dihydroindol-1-yl)ethanone;oxalic acid
CID 71783664
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
1-[2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
CID 90509042
1-(2,3-dihydroindol-1-yl)-2-(3-hydroxyazetidin-1-yl)ethanone
CID 63282171
2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-propylacetamide
CID 90509134
2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-N-(2-methylphenyl)acetamide
CID 71784501
1-(2,3-dihydroindol-1-yl)-2-(2,6-dimethylmorpholin-4-yl)ethanone
CID 78790849
1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]-4-phenylbutane-1,4-dione
CID 90508873
4-[[2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetyl]amino]benzamide
CID 71784535
N-(2-fluorophenyl)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetamide;oxalic acid
CID 71784502
4-chloro-1-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]butan-1-one
CID 90508926

Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone?
The IUPAC name of 1-(2,3-dihydroindol-1-yl)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone (CID 90509084) is 1-(2,3-dihydroindol-1-yl)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone.
What is the SMILES notation for 1-(2,3-dihydroindol-1-yl)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone?
The canonical SMILES for 1-(2,3-dihydroindol-1-yl)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone is O=C(CN1CC(c2nc(-c3ccco3)no2)C1)N1CCc2ccccc21.
What is the InChIKey of 1-(2,3-dihydroindol-1-yl)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone?
The InChIKey is NEWNRJSFIWGZNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c24-17(23-8-7-13-4-1-2-5-15(13)23)12-22-10-14(11-22)19-20-18(21-26-19)16-6-3-9-25-16/h1-6,9,14H,7-8,10-12H2.
What are the key properties of 1-(2,3-dihydroindol-1-yl)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone?
1-(2,3-dihydroindol-1-yl)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone has a molecular weight of 350.38 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydroindol-1-yl)-2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]ethanone is sourced from PubChem (CID 90509084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).