1-(4-hydroxy-2,3-dihydroindol-1-yl)-2-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]ethanone

C20H20N4O3 — CID 171813797

IUPAC1-(4-hydroxy-2,3-dihydroindol-1-yl)-2-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]ethanone
SMILESCc1noc(-c2ccc(C)c(NCC(=O)N3CCc4c(O)cccc43)c2)n1
InChIInChI=1S/C20H20N4O3/c1-12-6-7-14(20-22-13(2)23-27-20)10-16(12)21-11-19(26)24-9-8-15-17(24)4-3-5-18(15)25/h3-7,10,21,25H,8-9,11H2,1-2H3
InChIKeyUGZHDMAPBUDALI-UHFFFAOYSA-N
MW364.41 g/mol
LogP3.06
Rot. Bonds4

About 1-(4-hydroxy-2,3-dihydroindol-1-yl)-2-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]ethanone

1-(4-hydroxy-2,3-dihydroindol-1-yl)-2-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]ethanone (PubChem CID 171813797) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 1-(4-hydroxy-2,3-dihydroindol-1-yl)-2-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]ethanone.

Molecular Properties

Compound Name1-(4-hydroxy-2,3-dihydroindol-1-yl)-2-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]ethanone
PubChem CID171813797
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name1-(4-hydroxy-2,3-dihydroindol-1-yl)-2-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]ethanone
SMILESCc1noc(-c2ccc(C)c(NCC(=O)N3CCc4c(O)cccc43)c2)n1
InChIInChI=1S/C20H20N4O3/c1-12-6-7-14(20-22-13(2)23-27-20)10-16(12)21-11-19(26)24-9-8-15-17(24)4-3-5-18(15)25/h3-7,10,21,25H,8-9,11H2,1-2H3
InChIKeyUGZHDMAPBUDALI-UHFFFAOYSA-N
XLogP3.06
TPSA91.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-hydroxy-2,3-dihydroindol-1-yl)-2-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]ethanone?
The IUPAC name of 1-(4-hydroxy-2,3-dihydroindol-1-yl)-2-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]ethanone (CID 171813797) is 1-(4-hydroxy-2,3-dihydroindol-1-yl)-2-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]ethanone.
What is the SMILES notation for 1-(4-hydroxy-2,3-dihydroindol-1-yl)-2-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]ethanone?
The canonical SMILES for 1-(4-hydroxy-2,3-dihydroindol-1-yl)-2-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]ethanone is Cc1noc(-c2ccc(C)c(NCC(=O)N3CCc4c(O)cccc43)c2)n1.
What is the InChIKey of 1-(4-hydroxy-2,3-dihydroindol-1-yl)-2-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]ethanone?
The InChIKey is UGZHDMAPBUDALI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-12-6-7-14(20-22-13(2)23-27-20)10-16(12)21-11-19(26)24-9-8-15-17(24)4-3-5-18(15)25/h3-7,10,21,25H,8-9,11H2,1-2H3.
What are the key properties of 1-(4-hydroxy-2,3-dihydroindol-1-yl)-2-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]ethanone?
1-(4-hydroxy-2,3-dihydroindol-1-yl)-2-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]ethanone has a molecular weight of 364.41 g/mol, XLogP of 3.06, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-hydroxy-2,3-dihydroindol-1-yl)-2-[2-methyl-5-(3-methyl-1,2,4-oxadiazol-5-yl)anilino]ethanone is sourced from PubChem (CID 171813797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).