4-[(1S)-1-fluoroethyl]-3-[4-methyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one

C23H24FN5O3 — CID 154960730

About 4-[(1S)-1-fluoroethyl]-3-[4-methyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one

4-[(1S)-1-fluoroethyl]-3-[4-methyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one (PubChem CID 154960730) has the molecular formula C23H24FN5O3 and a molecular weight of 437.48 g/mol. Its IUPAC name is 4-[(1S)-1-fluoroethyl]-3-[4-methyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: 4-[(1S)-1-fluoroethyl]-3-[4-methyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
• PubChem CID: 154960730
• Molecular Formula: C23H24FN5O3
• Molecular Weight: 437.48 g/mol
• Exact Mass: 437.19
• IUPAC Name: 4-[(1S)-1-fluoroethyl]-3-[4-methyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
• SMILES: Cc1nc(N[C@@H](C)c2ccc(Oc3ccccc3)cc2)nc(N2C(=O)OCC2[C@H](C)F)n1
• InChI: InChI=1S/C23H24FN5O3/c1-14(24)20-13-31-23(30)29(20)22-27-16(3)26-21(28-22)25-15(2)17-9-11-19(12-10-17)32-18-7-5-4-6-8-18/h4-12,14-15,20H,13H2,1-3H3,(H,25,26,27,28)/t14-,15-,20?/m0/s1
• InChIKey: ZRUYEGUKKIECRX-HGUAOMBGSA-N
• XLogP: 4.83
• TPSA: 89.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.48
LogP ≤ 5	4.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-[(1S)-1-fluoroethyl]-3-[4-methyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one?

The IUPAC name of 4-[(1S)-1-fluoroethyl]-3-[4-methyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one (CID 154960730) is 4-[(1S)-1-fluoroethyl]-3-[4-methyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one.

What is the SMILES notation for 4-[(1S)-1-fluoroethyl]-3-[4-methyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one?

The canonical SMILES for 4-[(1S)-1-fluoroethyl]-3-[4-methyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one is Cc1nc(N[C@@H](C)c2ccc(Oc3ccccc3)cc2)nc(N2C(=O)OCC2[C@H](C)F)n1.

What is the InChIKey of 4-[(1S)-1-fluoroethyl]-3-[4-methyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one?

The InChIKey is ZRUYEGUKKIECRX-HGUAOMBGSA-N. The full InChI is InChI=1S/C23H24FN5O3/c1-14(24)20-13-31-23(30)29(20)22-27-16(3)26-21(28-22)25-15(2)17-9-11-19(12-10-17)32-18-7-5-4-6-8-18/h4-12,14-15,20H,13H2,1-3H3,(H,25,26,27,28)/t14-,15-,20?/m0/s1.

What are the key properties of 4-[(1S)-1-fluoroethyl]-3-[4-methyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one?

4-[(1S)-1-fluoroethyl]-3-[4-methyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 437.48 g/mol, XLogP of 4.83, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(1S)-1-fluoroethyl]-3-[4-methyl-6-[[(1S)-1-(4-phenoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 154960730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).