1-[5-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

C20H22N4O2 — CID 120863772

About 1-[5-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

1-[5-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (PubChem CID 120863772) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 1-[5-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.

Molecular Properties

• Compound Name: 1-[5-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
• PubChem CID: 120863772
• Molecular Formula: C20H22N4O2
• Molecular Weight: 350.42 g/mol
• Exact Mass: 350.17
• IUPAC Name: 1-[5-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
• SMILES: CC1Cc2ccccc2N1Cc1occc1-c1nc(C2(N)CCC2)no1
• InChI: InChI=1S/C20H22N4O2/c1-13-11-14-5-2-3-6-16(14)24(13)12-17-15(7-10-25-17)18-22-19(23-26-18)20(21)8-4-9-20/h2-3,5-7,10,13H,4,8-9,11-12,21H2,1H3
• InChIKey: WSCAVDVMTIIQHC-UHFFFAOYSA-N
• XLogP: 3.62
• TPSA: 81.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	350.42
LogP ≤ 5	3.62
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[5-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?

The IUPAC name of 1-[5-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (CID 120863772) is 1-[5-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.

What is the SMILES notation for 1-[5-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?

The canonical SMILES for 1-[5-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is CC1Cc2ccccc2N1Cc1occc1-c1nc(C2(N)CCC2)no1.

What is the InChIKey of 1-[5-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?

The InChIKey is WSCAVDVMTIIQHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-13-11-14-5-2-3-6-16(14)24(13)12-17-15(7-10-25-17)18-22-19(23-26-18)20(21)8-4-9-20/h2-3,5-7,10,13H,4,8-9,11-12,21H2,1H3.

What are the key properties of 1-[5-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?

1-[5-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine has a molecular weight of 350.42 g/mol, XLogP of 3.62, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[5-[2-[(2-methyl-2,3-dihydroindol-1-yl)methyl]furan-3-yl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 120863772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).