3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one

C21H21N3O3 — CID 94556878

About 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one

3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one (PubChem CID 94556878) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one.

Molecular Properties

• Compound Name: 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
• PubChem CID: 94556878
• Molecular Formula: C21H21N3O3
• Molecular Weight: 363.42 g/mol
• Exact Mass: 363.16
• IUPAC Name: 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one
• SMILES: COc1ccc(-c2noc(CCC(=O)N3c4ccccc4C[C@H]3C)n2)cc1
• InChI: InChI=1S/C21H21N3O3/c1-14-13-16-5-3-4-6-18(16)24(14)20(25)12-11-19-22-21(23-27-19)15-7-9-17(26-2)10-8-15/h3-10,14H,11-13H2,1-2H3/t14-/m1/s1
• InChIKey: ULXQCLAMEAYQIN-CQSZACIVSA-N
• XLogP: 3.66
• TPSA: 68.46 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	363.42
LogP ≤ 5	3.66
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one?

The IUPAC name of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one (CID 94556878) is 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one.

What is the SMILES notation for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one?

The canonical SMILES for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one is COc1ccc(-c2noc(CCC(=O)N3c4ccccc4C[C@H]3C)n2)cc1.

What is the InChIKey of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one?

The InChIKey is ULXQCLAMEAYQIN-CQSZACIVSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-14-13-16-5-3-4-6-18(16)24(14)20(25)12-11-19-22-21(23-27-19)15-7-9-17(26-2)10-8-15/h3-10,14H,11-13H2,1-2H3/t14-/m1/s1.

What are the key properties of 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one?

3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one has a molecular weight of 363.42 g/mol, XLogP of 3.66, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-1-[(2R)-2-methyl-2,3-dihydroindol-1-yl]propan-1-one is sourced from PubChem (CID 94556878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).