3-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]benzamide

C22H24N4O3 — CID 97259521

About 3-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]benzamide

3-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]benzamide (PubChem CID 97259521) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 3-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]benzamide.

Molecular Properties

• Compound Name: 3-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]benzamide
• PubChem CID: 97259521
• Molecular Formula: C22H24N4O3
• Molecular Weight: 392.46 g/mol
• Exact Mass: 392.18
• IUPAC Name: 3-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]benzamide
• SMILES: COCc1nnc(-c2cccc(C(=O)NCCN3c4ccccc4C[C@H]3C)c2)o1
• InChI: InChI=1S/C22H24N4O3/c1-15-12-16-6-3-4-9-19(16)26(15)11-10-23-21(27)17-7-5-8-18(13-17)22-25-24-20(29-22)14-28-2/h3-9,13,15H,10-12,14H2,1-2H3,(H,23,27)/t15-/m1/s1
• InChIKey: VCWCSEHDZGDIBX-OAHLLOKOSA-N
• XLogP: 3.06
• TPSA: 80.49 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	392.46
LogP ≤ 5	3.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]benzamide?

The IUPAC name of 3-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]benzamide (CID 97259521) is 3-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]benzamide.

What is the SMILES notation for 3-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]benzamide?

The canonical SMILES for 3-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]benzamide is COCc1nnc(-c2cccc(C(=O)NCCN3c4ccccc4C[C@H]3C)c2)o1.

What is the InChIKey of 3-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]benzamide?

The InChIKey is VCWCSEHDZGDIBX-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-15-12-16-6-3-4-9-19(16)26(15)11-10-23-21(27)17-7-5-8-18(13-17)22-25-24-20(29-22)14-28-2/h3-9,13,15H,10-12,14H2,1-2H3,(H,23,27)/t15-/m1/s1.

What are the key properties of 3-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]benzamide?

3-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]benzamide has a molecular weight of 392.46 g/mol, XLogP of 3.06, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[5-(methoxymethyl)-1,3,4-oxadiazol-2-yl]-N-[2-[(2R)-2-methyl-2,3-dihydroindol-1-yl]ethyl]benzamide is sourced from PubChem (CID 97259521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).