1-(1H-indol-3-yl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]ethanone

C13H11N3O3 — CID 56783282

IUPAC1-(1H-indol-3-yl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]ethanone
SMILESCc1noc(OCC(=O)c2c[nH]c3ccccc23)n1
InChIInChI=1S/C13H11N3O3/c1-8-15-13(19-16-8)18-7-12(17)10-6-14-11-5-3-2-4-9(10)11/h2-6,14H,7H2,1H3
InChIKeyNYDMFNNBNUPKDQ-UHFFFAOYSA-N
MW257.25 g/mol
LogP2.12
Rot. Bonds4

About 1-(1H-indol-3-yl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]ethanone

1-(1H-indol-3-yl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]ethanone (PubChem CID 56783282) has the molecular formula C13H11N3O3 and a molecular weight of 257.25 g/mol. Its IUPAC name is 1-(1H-indol-3-yl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]ethanone.

Molecular Properties

Compound Name1-(1H-indol-3-yl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]ethanone
PubChem CID56783282
Molecular FormulaC13H11N3O3
Molecular Weight257.25 g/mol
Exact Mass257.08
IUPAC Name1-(1H-indol-3-yl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]ethanone
SMILESCc1noc(OCC(=O)c2c[nH]c3ccccc23)n1
InChIInChI=1S/C13H11N3O3/c1-8-15-13(19-16-8)18-7-12(17)10-6-14-11-5-3-2-4-9(10)11/h2-6,14H,7H2,1H3
InChIKeyNYDMFNNBNUPKDQ-UHFFFAOYSA-N
XLogP2.12
TPSA81.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.25
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-indol-3-yl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]ethanone?
The IUPAC name of 1-(1H-indol-3-yl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]ethanone (CID 56783282) is 1-(1H-indol-3-yl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]ethanone.
What is the SMILES notation for 1-(1H-indol-3-yl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]ethanone?
The canonical SMILES for 1-(1H-indol-3-yl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]ethanone is Cc1noc(OCC(=O)c2c[nH]c3ccccc23)n1.
What is the InChIKey of 1-(1H-indol-3-yl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]ethanone?
The InChIKey is NYDMFNNBNUPKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3/c1-8-15-13(19-16-8)18-7-12(17)10-6-14-11-5-3-2-4-9(10)11/h2-6,14H,7H2,1H3.
What are the key properties of 1-(1H-indol-3-yl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]ethanone?
1-(1H-indol-3-yl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]ethanone has a molecular weight of 257.25 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-indol-3-yl)-2-[(3-methyl-1,2,4-oxadiazol-5-yl)oxy]ethanone is sourced from PubChem (CID 56783282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).