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

C₂₄H₂₇N₅O₃ — CID 151869553

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

(4S)-4-ethyl-3-[4-methyl-6-[[(1R)-1-(4-phenylmethoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one (PubChem CID 151869553) has the molecular formula C₂₄H₂₇N₅O₃ and a molecular weight of 433.51 g/mol. Its IUPAC name is (4S)-4-ethyl-3-[4-methyl-6-[[(1R)-1-(4-phenylmethoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4S)-4-ethyl-3-[4-methyl-6-[[(1R)-1-(4-phenylmethoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
• PubChem CID: 151869553
• Molecular Formula: C₂₄H₂₇N₅O₃
• Molecular Weight: 433.51 g/mol
• Exact Mass: 433.21
• IUPAC Name: (4S)-4-ethyl-3-[4-methyl-6-[[(1R)-1-(4-phenylmethoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one
• SMILES: CC[C@H]1COC(=O)N1c1nc(C)nc(N[C@H](C)c2ccc(OCc3ccccc3)cc2)n1
• InChI: InChI=1S/C24H27N5O3/c1-4-20-15-32-24(30)29(20)23-27-17(3)26-22(28-23)25-16(2)19-10-12-21(13-11-19)31-14-18-8-6-5-7-9-18/h5-13,16,20H,4,14-15H2,1-3H3,(H,25,26,27,28)/t16-,20+/m1/s1
• InChIKey: SMJXJHXGAXQAJR-UZLBHIALSA-N
• XLogP: 4.67
• TPSA: 89.47 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.51
LogP ≤ 5	4.67
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of (4S)-4-ethyl-3-[4-methyl-6-[[(1R)-1-(4-phenylmethoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one (CID 151869553) is (4S)-4-ethyl-3-[4-methyl-6-[[(1R)-1-(4-phenylmethoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one.

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

The canonical SMILES for (4S)-4-ethyl-3-[4-methyl-6-[[(1R)-1-(4-phenylmethoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one is CC[C@H]1COC(=O)N1c1nc(C)nc(N[C@H](C)c2ccc(OCc3ccccc3)cc2)n1.

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

The InChIKey is SMJXJHXGAXQAJR-UZLBHIALSA-N. The full InChI is InChI=1S/C24H27N5O3/c1-4-20-15-32-24(30)29(20)23-27-17(3)26-22(28-23)25-16(2)19-10-12-21(13-11-19)31-14-18-8-6-5-7-9-18/h5-13,16,20H,4,14-15H2,1-3H3,(H,25,26,27,28)/t16-,20+/m1/s1.

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

(4S)-4-ethyl-3-[4-methyl-6-[[(1R)-1-(4-phenylmethoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one has a molecular weight of 433.51 g/mol, XLogP of 4.67, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-ethyl-3-[4-methyl-6-[[(1R)-1-(4-phenylmethoxyphenyl)ethyl]amino]-1,3,5-triazin-2-yl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 151869553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 151869553 — identifiers, structure, computed properties (public domain)

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