2-methoxy-N-[(7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzamide

C20H21N3O3 — CID 163017950

About 2-methoxy-N-[(7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzamide

2-methoxy-N-[(7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzamide (PubChem CID 163017950) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-methoxy-N-[(7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzamide.

Molecular Properties

• Compound Name: 2-methoxy-N-[(7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzamide
• PubChem CID: 163017950
• Molecular Formula: C20H21N3O3
• Molecular Weight: 351.41 g/mol
• Exact Mass: 351.16
• IUPAC Name: 2-methoxy-N-[(7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzamide
• SMILES: COc1ccccc1C(=O)NCC1COCc2nc3ccc(C)cc3n21
• InChI: InChI=1S/C20H21N3O3/c1-13-7-8-16-17(9-13)23-14(11-26-12-19(23)22-16)10-21-20(24)15-5-3-4-6-18(15)25-2/h3-9,14H,10-12H2,1-2H3,(H,21,24)
• InChIKey: GPVJAGYTBBTTOQ-UHFFFAOYSA-N
• XLogP: 2.85
• TPSA: 65.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 26
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	351.41
LogP ≤ 5	2.85
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[(7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzamide?

The IUPAC name of 2-methoxy-N-[(7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzamide (CID 163017950) is 2-methoxy-N-[(7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzamide.

What is the SMILES notation for 2-methoxy-N-[(7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzamide?

The canonical SMILES for 2-methoxy-N-[(7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzamide is COc1ccccc1C(=O)NCC1COCc2nc3ccc(C)cc3n21.

What is the InChIKey of 2-methoxy-N-[(7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzamide?

The InChIKey is GPVJAGYTBBTTOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-13-7-8-16-17(9-13)23-14(11-26-12-19(23)22-16)10-21-20(24)15-5-3-4-6-18(15)25-2/h3-9,14H,10-12H2,1-2H3,(H,21,24).

What are the key properties of 2-methoxy-N-[(7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzamide?

2-methoxy-N-[(7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzamide has a molecular weight of 351.41 g/mol, XLogP of 2.85, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-methoxy-N-[(7-methyl-3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-4-yl)methyl]benzamide is sourced from PubChem (CID 163017950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).