1-[5-[(5-anilino-1,3,4-oxadiazol-2-yl)methoxy]-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone

C27H24N4O3 — CID 10026869

About 1-[5-[(5-anilino-1,3,4-oxadiazol-2-yl)methoxy]-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone

1-[5-[(5-anilino-1,3,4-oxadiazol-2-yl)methoxy]-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone (PubChem CID 10026869) has the molecular formula C27H24N4O3 and a molecular weight of 452.51 g/mol. Its IUPAC name is 1-[5-[(5-anilino-1,3,4-oxadiazol-2-yl)methoxy]-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone.

Molecular Properties

• Compound Name: 1-[5-[(5-anilino-1,3,4-oxadiazol-2-yl)methoxy]-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone
• PubChem CID: 10026869
• Molecular Formula: C27H24N4O3
• Molecular Weight: 452.51 g/mol
• Exact Mass: 452.18
• IUPAC Name: 1-[5-[(5-anilino-1,3,4-oxadiazol-2-yl)methoxy]-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone
• SMILES: CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OCc3nnc(Nc4ccccc4)o3)cc12
• InChI: InChI=1S/C27H24N4O3/c1-17-9-11-21(12-10-17)31-18(2)26(19(3)32)23-15-22(13-14-24(23)31)33-16-25-29-30-27(34-25)28-20-7-5-4-6-8-20/h4-15H,16H2,1-3H3,(H,28,30)
• InChIKey: CCFAAODWEPDAMM-UHFFFAOYSA-N
• XLogP: 6.16
• TPSA: 82.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	452.51
LogP ≤ 5	6.16
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(5-anilino-1,3,4-oxadiazol-2-yl)methoxy]-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone?

The IUPAC name of 1-[5-[(5-anilino-1,3,4-oxadiazol-2-yl)methoxy]-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone (CID 10026869) is 1-[5-[(5-anilino-1,3,4-oxadiazol-2-yl)methoxy]-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone.

What is the SMILES notation for 1-[5-[(5-anilino-1,3,4-oxadiazol-2-yl)methoxy]-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone?

The canonical SMILES for 1-[5-[(5-anilino-1,3,4-oxadiazol-2-yl)methoxy]-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone is CC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OCc3nnc(Nc4ccccc4)o3)cc12.

What is the InChIKey of 1-[5-[(5-anilino-1,3,4-oxadiazol-2-yl)methoxy]-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone?

The InChIKey is CCFAAODWEPDAMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H24N4O3/c1-17-9-11-21(12-10-17)31-18(2)26(19(3)32)23-15-22(13-14-24(23)31)33-16-25-29-30-27(34-25)28-20-7-5-4-6-8-20/h4-15H,16H2,1-3H3,(H,28,30).

What are the key properties of 1-[5-[(5-anilino-1,3,4-oxadiazol-2-yl)methoxy]-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone?

1-[5-[(5-anilino-1,3,4-oxadiazol-2-yl)methoxy]-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone has a molecular weight of 452.51 g/mol, XLogP of 6.16, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[(5-anilino-1,3,4-oxadiazol-2-yl)methoxy]-2-methyl-1-(4-methylphenyl)indol-3-yl]ethanone is sourced from PubChem (CID 10026869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).