2-(4-benzyl-7-fluoro-2,3-dihydro-1,4-benzoxazin-3-yl)-N-(1,3-thiazol-2-yl)acetamide

C20H18FN3O2S — CID 53077842

About 2-(4-benzyl-7-fluoro-2,3-dihydro-1,4-benzoxazin-3-yl)-N-(1,3-thiazol-2-yl)acetamide

2-(4-benzyl-7-fluoro-2,3-dihydro-1,4-benzoxazin-3-yl)-N-(1,3-thiazol-2-yl)acetamide (PubChem CID 53077842) has the molecular formula C20H18FN3O2S and a molecular weight of 383.45 g/mol. Its IUPAC name is 2-(4-benzyl-7-fluoro-2,3-dihydro-1,4-benzoxazin-3-yl)-N-(1,3-thiazol-2-yl)acetamide.

Molecular Properties

• Compound Name: 2-(4-benzyl-7-fluoro-2,3-dihydro-1,4-benzoxazin-3-yl)-N-(1,3-thiazol-2-yl)acetamide
• PubChem CID: 53077842
• Molecular Formula: C20H18FN3O2S
• Molecular Weight: 383.45 g/mol
• Exact Mass: 383.11
• IUPAC Name: 2-(4-benzyl-7-fluoro-2,3-dihydro-1,4-benzoxazin-3-yl)-N-(1,3-thiazol-2-yl)acetamide
• SMILES: O=C(CC1COc2cc(F)ccc2N1Cc1ccccc1)Nc1nccs1
• InChI: InChI=1S/C20H18FN3O2S/c21-15-6-7-17-18(10-15)26-13-16(11-19(25)23-20-22-8-9-27-20)24(17)12-14-4-2-1-3-5-14/h1-10,16H,11-13H2,(H,22,23,25)
• InChIKey: QLEZJIYUODOWRT-UHFFFAOYSA-N
• XLogP: 4.08
• TPSA: 54.46 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	383.45
LogP ≤ 5	4.08
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 2-(4-benzyl-7-fluoro-2,3-dihydro-1,4-benzoxazin-3-yl)-N-(1,3-thiazol-2-yl)acetamide?

The IUPAC name of 2-(4-benzyl-7-fluoro-2,3-dihydro-1,4-benzoxazin-3-yl)-N-(1,3-thiazol-2-yl)acetamide (CID 53077842) is 2-(4-benzyl-7-fluoro-2,3-dihydro-1,4-benzoxazin-3-yl)-N-(1,3-thiazol-2-yl)acetamide.

What is the SMILES notation for 2-(4-benzyl-7-fluoro-2,3-dihydro-1,4-benzoxazin-3-yl)-N-(1,3-thiazol-2-yl)acetamide?

The canonical SMILES for 2-(4-benzyl-7-fluoro-2,3-dihydro-1,4-benzoxazin-3-yl)-N-(1,3-thiazol-2-yl)acetamide is O=C(CC1COc2cc(F)ccc2N1Cc1ccccc1)Nc1nccs1.

What is the InChIKey of 2-(4-benzyl-7-fluoro-2,3-dihydro-1,4-benzoxazin-3-yl)-N-(1,3-thiazol-2-yl)acetamide?

The InChIKey is QLEZJIYUODOWRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN3O2S/c21-15-6-7-17-18(10-15)26-13-16(11-19(25)23-20-22-8-9-27-20)24(17)12-14-4-2-1-3-5-14/h1-10,16H,11-13H2,(H,22,23,25).

What are the key properties of 2-(4-benzyl-7-fluoro-2,3-dihydro-1,4-benzoxazin-3-yl)-N-(1,3-thiazol-2-yl)acetamide?

2-(4-benzyl-7-fluoro-2,3-dihydro-1,4-benzoxazin-3-yl)-N-(1,3-thiazol-2-yl)acetamide has a molecular weight of 383.45 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 2-(4-benzyl-7-fluoro-2,3-dihydro-1,4-benzoxazin-3-yl)-N-(1,3-thiazol-2-yl)acetamide is sourced from PubChem (CID 53077842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).