(4S)-4-ethyl-3-[4-methyl-6-[1-(3-phenyl-1H-indol-6-yl)ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one

C25H26N6O2 — CID 154960791

About (4S)-4-ethyl-3-[4-methyl-6-[1-(3-phenyl-1H-indol-6-yl)ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one

(4S)-4-ethyl-3-[4-methyl-6-[1-(3-phenyl-1H-indol-6-yl)ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one (PubChem CID 154960791) has the molecular formula C25H26N6O2 and a molecular weight of 442.52 g/mol. Its IUPAC name is (4S)-4-ethyl-3-[4-methyl-6-[1-(3-phenyl-1H-indol-6-yl)ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4S)-4-ethyl-3-[4-methyl-6-[1-(3-phenyl-1H-indol-6-yl)ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
• PubChem CID: 154960791
• Molecular Formula: C25H26N6O2
• Molecular Weight: 442.52 g/mol
• Exact Mass: 442.21
• IUPAC Name: (4S)-4-ethyl-3-[4-methyl-6-[1-(3-phenyl-1H-indol-6-yl)ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
• SMILES: CC[C@H]1COC(=O)N1c1nc(C)nc(NC(C)c2ccc3c(-c4ccccc4)c[nH]c3c2)n1
• InChI: InChI=1S/C25H26N6O2/c1-4-19-14-33-25(32)31(19)24-29-16(3)28-23(30-24)27-15(2)18-10-11-20-21(13-26-22(20)12-18)17-8-6-5-7-9-17/h5-13,15,19,26H,4,14H2,1-3H3,(H,27,28,29,30)/t15?,19-/m0/s1
• InChIKey: PBICTBTYFLTQPH-FUBQLUNQSA-N
• XLogP: 5.24
• TPSA: 96.03 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	442.52
LogP ≤ 5	5.24
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4S)-4-ethyl-3-[4-methyl-6-[1-(3-phenyl-1H-indol-6-yl)ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one?

The IUPAC name of (4S)-4-ethyl-3-[4-methyl-6-[1-(3-phenyl-1H-indol-6-yl)ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one (CID 154960791) is (4S)-4-ethyl-3-[4-methyl-6-[1-(3-phenyl-1H-indol-6-yl)ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one.

What is the SMILES notation for (4S)-4-ethyl-3-[4-methyl-6-[1-(3-phenyl-1H-indol-6-yl)ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one?

The canonical SMILES for (4S)-4-ethyl-3-[4-methyl-6-[1-(3-phenyl-1H-indol-6-yl)ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one is CC[C@H]1COC(=O)N1c1nc(C)nc(NC(C)c2ccc3c(-c4ccccc4)c[nH]c3c2)n1.

What is the InChIKey of (4S)-4-ethyl-3-[4-methyl-6-[1-(3-phenyl-1H-indol-6-yl)ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one?

The InChIKey is PBICTBTYFLTQPH-FUBQLUNQSA-N. The full InChI is InChI=1S/C25H26N6O2/c1-4-19-14-33-25(32)31(19)24-29-16(3)28-23(30-24)27-15(2)18-10-11-20-21(13-26-22(20)12-18)17-8-6-5-7-9-17/h5-13,15,19,26H,4,14H2,1-3H3,(H,27,28,29,30)/t15?,19-/m0/s1.

What are the key properties of (4S)-4-ethyl-3-[4-methyl-6-[1-(3-phenyl-1H-indol-6-yl)ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one?

(4S)-4-ethyl-3-[4-methyl-6-[1-(3-phenyl-1H-indol-6-yl)ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 442.52 g/mol, XLogP of 5.24, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-ethyl-3-[4-methyl-6-[1-(3-phenyl-1H-indol-6-yl)ethylamino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 154960791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).