N-[[(5S)-3-[4-[4-[(6-aminopurin-9-yl)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C24H22FN7O3 — CID 23404076

About N-[[(5S)-3-[4-[4-[(6-aminopurin-9-yl)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-[4-[(6-aminopurin-9-yl)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 23404076) has the molecular formula C24H22FN7O3 and a molecular weight of 475.48 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[4-[(6-aminopurin-9-yl)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[4-[4-[(6-aminopurin-9-yl)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 23404076
• Molecular Formula: C24H22FN7O3
• Molecular Weight: 475.48 g/mol
• Exact Mass: 475.18
• IUPAC Name: N-[[(5S)-3-[4-[4-[(6-aminopurin-9-yl)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(Cn4cnc5c(N)ncnc54)cc3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C24H22FN7O3/c1-14(33)27-9-18-11-32(24(34)35-18)17-6-7-19(20(25)8-17)16-4-2-15(3-5-16)10-31-13-30-21-22(26)28-12-29-23(21)31/h2-8,12-13,18H,9-11H2,1H3,(H,27,33)(H2,26,28,29)/t18-/m0/s1
• InChIKey: DLXZSTAXVNRDOE-SFHVURJKSA-N
• XLogP: 2.72
• TPSA: 128.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	475.48
LogP ≤ 5	2.72
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[4-[(6-aminopurin-9-yl)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The IUPAC name of N-[[(5S)-3-[4-[4-[(6-aminopurin-9-yl)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 23404076) is N-[[(5S)-3-[4-[4-[(6-aminopurin-9-yl)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

What is the SMILES notation for N-[[(5S)-3-[4-[4-[(6-aminopurin-9-yl)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The canonical SMILES for N-[[(5S)-3-[4-[4-[(6-aminopurin-9-yl)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(Cn4cnc5c(N)ncnc54)cc3)c(F)c2)C(=O)O1.

What is the InChIKey of N-[[(5S)-3-[4-[4-[(6-aminopurin-9-yl)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The InChIKey is DLXZSTAXVNRDOE-SFHVURJKSA-N. The full InChI is InChI=1S/C24H22FN7O3/c1-14(33)27-9-18-11-32(24(34)35-18)17-6-7-19(20(25)8-17)16-4-2-15(3-5-16)10-31-13-30-21-22(26)28-12-29-23(21)31/h2-8,12-13,18H,9-11H2,1H3,(H,27,33)(H2,26,28,29)/t18-/m0/s1.

What are the key properties of N-[[(5S)-3-[4-[4-[(6-aminopurin-9-yl)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

N-[[(5S)-3-[4-[4-[(6-aminopurin-9-yl)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 475.48 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[4-[4-[(6-aminopurin-9-yl)methyl]phenyl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 23404076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).