(2R)-2-[6-[2-(4-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide

C24H25FN2O6 — CID 93319290

About (2R)-2-[6-[2-(4-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide

(2R)-2-[6-[2-(4-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide (PubChem CID 93319290) has the molecular formula C24H25FN2O6 and a molecular weight of 456.47 g/mol. Its IUPAC name is (2R)-2-[6-[2-(4-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide.

Molecular Properties

• Compound Name: (2R)-2-[6-[2-(4-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
• PubChem CID: 93319290
• Molecular Formula: C24H25FN2O6
• Molecular Weight: 456.47 g/mol
• Exact Mass: 456.17
• IUPAC Name: (2R)-2-[6-[2-(4-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide
• SMILES: C[C@H](C(=O)NC[C@@H]1CCCO1)N1C(=O)COc2ccc(C(=O)COc3ccc(F)cc3)cc21
• InChI: InChI=1S/C24H25FN2O6/c1-15(24(30)26-12-19-3-2-10-31-19)27-20-11-16(4-9-22(20)33-14-23(27)29)21(28)13-32-18-7-5-17(25)6-8-18/h4-9,11,15,19H,2-3,10,12-14H2,1H3,(H,26,30)/t15-,19+/m1/s1
• InChIKey: OIYAUJGAEBFHON-BEFAXECRSA-N
• XLogP: 2.50
• TPSA: 94.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 8
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.47
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[6-[2-(4-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?

The IUPAC name of (2R)-2-[6-[2-(4-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide (CID 93319290) is (2R)-2-[6-[2-(4-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide.

What is the SMILES notation for (2R)-2-[6-[2-(4-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?

The canonical SMILES for (2R)-2-[6-[2-(4-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide is C[C@H](C(=O)NC[C@@H]1CCCO1)N1C(=O)COc2ccc(C(=O)COc3ccc(F)cc3)cc21.

What is the InChIKey of (2R)-2-[6-[2-(4-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?

The InChIKey is OIYAUJGAEBFHON-BEFAXECRSA-N. The full InChI is InChI=1S/C24H25FN2O6/c1-15(24(30)26-12-19-3-2-10-31-19)27-20-11-16(4-9-22(20)33-14-23(27)29)21(28)13-32-18-7-5-17(25)6-8-18/h4-9,11,15,19H,2-3,10,12-14H2,1H3,(H,26,30)/t15-,19+/m1/s1.

What are the key properties of (2R)-2-[6-[2-(4-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide?

(2R)-2-[6-[2-(4-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide has a molecular weight of 456.47 g/mol, XLogP of 2.50, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (2R)-2-[6-[2-(4-fluorophenoxy)acetyl]-3-oxo-1,4-benzoxazin-4-yl]-N-[[(2S)-oxolan-2-yl]methyl]propanamide is sourced from PubChem (CID 93319290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).