5-[[3-[[(1R,2S)-1-methoxy-1-(5-methylpyrazin-2-yl)propan-2-yl]sulfonylmethyl]-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-4-yl]methyl]-3-(trifluoromethyl)-1,2-oxazole

C23H24F3N7O4S — CID 160597612

About 5-[[3-[[(1R,2S)-1-methoxy-1-(5-methylpyrazin-2-yl)propan-2-yl]sulfonylmethyl]-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-4-yl]methyl]-3-(trifluoromethyl)-1,2-oxazole

5-[[3-[[(1R,2S)-1-methoxy-1-(5-methylpyrazin-2-yl)propan-2-yl]sulfonylmethyl]-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-4-yl]methyl]-3-(trifluoromethyl)-1,2-oxazole (PubChem CID 160597612) has the molecular formula C23H24F3N7O4S and a molecular weight of 551.55 g/mol. Its IUPAC name is 5-[[3-[[(1R,2S)-1-methoxy-1-(5-methylpyrazin-2-yl)propan-2-yl]sulfonylmethyl]-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-4-yl]methyl]-3-(trifluoromethyl)-1,2-oxazole.

Molecular Properties

• Compound Name: 5-[[3-[[(1R,2S)-1-methoxy-1-(5-methylpyrazin-2-yl)propan-2-yl]sulfonylmethyl]-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-4-yl]methyl]-3-(trifluoromethyl)-1,2-oxazole
• PubChem CID: 160597612
• Molecular Formula: C23H24F3N7O4S
• Molecular Weight: 551.55 g/mol
• Exact Mass: 551.16
• IUPAC Name: 5-[[3-[[(1R,2S)-1-methoxy-1-(5-methylpyrazin-2-yl)propan-2-yl]sulfonylmethyl]-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-4-yl]methyl]-3-(trifluoromethyl)-1,2-oxazole
• SMILES: CO[C@H](c1cnc(C)cn1)[C@H](C)S(=O)(=O)Cc1nnc(-c2cccc(C)n2)n1Cc1cc(C(F)(F)F)no1
• InChI: InChI=1S/C23H24F3N7O4S/c1-13-6-5-7-17(29-13)22-31-30-20(33(22)11-16-8-19(32-37-16)23(24,25)26)12-38(34,35)15(3)21(36-4)18-10-27-14(2)9-28-18/h5-10,15,21H,11-12H2,1-4H3/t15-,21-/m0/s1
• InChIKey: RDVQDKQMDHPONN-BTYIYWSLSA-N
• XLogP: 3.49
• TPSA: 138.78 Ų
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	551.55
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 5-[[3-[[(1R,2S)-1-methoxy-1-(5-methylpyrazin-2-yl)propan-2-yl]sulfonylmethyl]-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-4-yl]methyl]-3-(trifluoromethyl)-1,2-oxazole?

The IUPAC name of 5-[[3-[[(1R,2S)-1-methoxy-1-(5-methylpyrazin-2-yl)propan-2-yl]sulfonylmethyl]-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-4-yl]methyl]-3-(trifluoromethyl)-1,2-oxazole (CID 160597612) is 5-[[3-[[(1R,2S)-1-methoxy-1-(5-methylpyrazin-2-yl)propan-2-yl]sulfonylmethyl]-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-4-yl]methyl]-3-(trifluoromethyl)-1,2-oxazole.

What is the SMILES notation for 5-[[3-[[(1R,2S)-1-methoxy-1-(5-methylpyrazin-2-yl)propan-2-yl]sulfonylmethyl]-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-4-yl]methyl]-3-(trifluoromethyl)-1,2-oxazole?

The canonical SMILES for 5-[[3-[[(1R,2S)-1-methoxy-1-(5-methylpyrazin-2-yl)propan-2-yl]sulfonylmethyl]-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-4-yl]methyl]-3-(trifluoromethyl)-1,2-oxazole is CO[C@H](c1cnc(C)cn1)[C@H](C)S(=O)(=O)Cc1nnc(-c2cccc(C)n2)n1Cc1cc(C(F)(F)F)no1.

What is the InChIKey of 5-[[3-[[(1R,2S)-1-methoxy-1-(5-methylpyrazin-2-yl)propan-2-yl]sulfonylmethyl]-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-4-yl]methyl]-3-(trifluoromethyl)-1,2-oxazole?

The InChIKey is RDVQDKQMDHPONN-BTYIYWSLSA-N. The full InChI is InChI=1S/C23H24F3N7O4S/c1-13-6-5-7-17(29-13)22-31-30-20(33(22)11-16-8-19(32-37-16)23(24,25)26)12-38(34,35)15(3)21(36-4)18-10-27-14(2)9-28-18/h5-10,15,21H,11-12H2,1-4H3/t15-,21-/m0/s1.

What are the key properties of 5-[[3-[[(1R,2S)-1-methoxy-1-(5-methylpyrazin-2-yl)propan-2-yl]sulfonylmethyl]-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-4-yl]methyl]-3-(trifluoromethyl)-1,2-oxazole?

5-[[3-[[(1R,2S)-1-methoxy-1-(5-methylpyrazin-2-yl)propan-2-yl]sulfonylmethyl]-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-4-yl]methyl]-3-(trifluoromethyl)-1,2-oxazole has a molecular weight of 551.55 g/mol, XLogP of 3.49, 9 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[3-[[(1R,2S)-1-methoxy-1-(5-methylpyrazin-2-yl)propan-2-yl]sulfonylmethyl]-5-(6-methyl-2-pyridinyl)-1,2,4-triazol-4-yl]methyl]-3-(trifluoromethyl)-1,2-oxazole is sourced from PubChem (CID 160597612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).