1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]-2-phenoxyethanone

C20H19N3O3 — CID 50789582

IUPAC1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]-2-phenoxyethanone
SMILESCCc1nc(-c2ccc3c(c2)CCN3C(=O)COc2ccccc2)no1
InChIInChI=1S/C20H19N3O3/c1-2-18-21-20(22-26-18)15-8-9-17-14(12-15)10-11-23(17)19(24)13-25-16-6-4-3-5-7-16/h3-9,12H,2,10-11,13H2,1H3
InChIKeyJYMGZOVYKBNAQH-UHFFFAOYSA-N
MW349.39 g/mol
LogP3.27
Rot. Bonds5

About 1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]-2-phenoxyethanone

1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]-2-phenoxyethanone (PubChem CID 50789582) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is 1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]-2-phenoxyethanone.

Molecular Properties

Compound Name1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]-2-phenoxyethanone
PubChem CID50789582
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]-2-phenoxyethanone
SMILESCCc1nc(-c2ccc3c(c2)CCN3C(=O)COc2ccccc2)no1
InChIInChI=1S/C20H19N3O3/c1-2-18-21-20(22-26-18)15-8-9-17-14(12-15)10-11-23(17)19(24)13-25-16-6-4-3-5-7-16/h3-9,12H,2,10-11,13H2,1H3
InChIKeyJYMGZOVYKBNAQH-UHFFFAOYSA-N
XLogP3.27
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-[(2-methylphenoxy)methyl]-3-[4-(1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazole
CID 4613977
5-[(4-methoxyphenoxy)methyl]-3-[4-(1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazole
CID 4916146
5-[1-(4-ethylphenoxy)ethyl]-3-[4-(1H-pyrrol-1-yl)phenyl]-1,2,4-oxadiazole
CID 4917466
[1,2,4]Oxadiazole, 5-[1-(4-propylphenoxy)ethyl]-3-(4-pyrrol-1-ylphenyl)-
CID 4919746
5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydroindol-2-one
CID 16738432
5-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydrobenzimidazol-2-one
CID 16738433
6-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydroindol-2-one
CID 16738434
1-[3-[5-[(2R)-1-(2-phenoxyacetyl)piperidin-2-yl]-1,2,4-oxadiazol-3-yl]phenyl]pyrrolidin-2-one
CID 68686383
5-[5-[(2R)-4-methyl-1-(2-phenoxyacetyl)piperazin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydroindol-2-one
CID 68687215
5-[5-[(2R)-1-(2-phenoxyacetyl)piperazin-2-yl]-1,2,4-oxadiazol-3-yl]-1,3-dihydroindol-2-one
CID 68690830
5-[(3-Methylphenoxy)methyl]-3-[4-(1-pyrrolyl)phenyl]-1,2,4-oxadiazole
CID 4614067
1-[3-(4-Methoxyphenyl)-1,2,4-oxadiazol-5-YL]-2,3-dihydro-1H-indole
CID 6625216

Frequently Asked Questions

What is the IUPAC name of 1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]-2-phenoxyethanone?
The IUPAC name of 1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]-2-phenoxyethanone (CID 50789582) is 1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]-2-phenoxyethanone.
What is the SMILES notation for 1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]-2-phenoxyethanone?
The canonical SMILES for 1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]-2-phenoxyethanone is CCc1nc(-c2ccc3c(c2)CCN3C(=O)COc2ccccc2)no1.
What is the InChIKey of 1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]-2-phenoxyethanone?
The InChIKey is JYMGZOVYKBNAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-2-18-21-20(22-26-18)15-8-9-17-14(12-15)10-11-23(17)19(24)13-25-16-6-4-3-5-7-16/h3-9,12H,2,10-11,13H2,1H3.
What are the key properties of 1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]-2-phenoxyethanone?
1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]-2-phenoxyethanone has a molecular weight of 349.39 g/mol, XLogP of 3.27, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydroindol-1-yl]-2-phenoxyethanone is sourced from PubChem (CID 50789582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).