RSRIFUJXXBSNRI-OAHLLOKOSA-N

C₂₃H₂₆ClF₂N₅O₃ — CID 118881418

About RSRIFUJXXBSNRI-OAHLLOKOSA-N

RSRIFUJXXBSNRI-OAHLLOKOSA-N (PubChem CID 118881418) has the molecular formula C₂₃H₂₆ClF₂N₅O₃ and a molecular weight of 493.94 g/mol. Its IUPAC name is (2R)-1-[4-chloro-3-[4-(3,3-difluoroazetidin-1-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol.

Molecular Properties

• Compound Name: RSRIFUJXXBSNRI-OAHLLOKOSA-N
• PubChem CID: 118881418
• Molecular Formula: C₂₃H₂₆ClF₂N₅O₃
• Molecular Weight: 493.94 g/mol
• Exact Mass: 493.17
• IUPAC Name: (2R)-1-[4-chloro-3-[4-(3,3-difluoroazetidin-1-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol
• SMILES: CNC[C@@H](O)COc1ccc(Cl)c(-c2nc(-c3c(C)noc3C)c(C)c(N3CC(F)(F)C3)n2)c1
• InChI: InChI=1S/C23H26ClF2N5O3/c1-12-20(19-13(2)30-34-14(19)3)28-21(29-22(12)31-10-23(25,26)11-31)17-7-16(5-6-18(17)24)33-9-15(32)8-27-4/h5-7,15,27,32H,8-11H2,1-4H3/t15-/m1/s1
• InChIKey: RSRIFUJXXBSNRI-OAHLLOKOSA-N
• XLogP: 3.79
• TPSA: 96.54 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.94
LogP ≤ 5	3.79
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of RSRIFUJXXBSNRI-OAHLLOKOSA-N?

The IUPAC name of RSRIFUJXXBSNRI-OAHLLOKOSA-N (CID 118881418) is (2R)-1-[4-chloro-3-[4-(3,3-difluoroazetidin-1-yl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)-5-methylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol.

What is the SMILES notation for RSRIFUJXXBSNRI-OAHLLOKOSA-N?

The canonical SMILES for RSRIFUJXXBSNRI-OAHLLOKOSA-N is CNC[C@@H](O)COc1ccc(Cl)c(-c2nc(-c3c(C)noc3C)c(C)c(N3CC(F)(F)C3)n2)c1.

What is the InChIKey of RSRIFUJXXBSNRI-OAHLLOKOSA-N?

The InChIKey is RSRIFUJXXBSNRI-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H26ClF2N5O3/c1-12-20(19-13(2)30-34-14(19)3)28-21(29-22(12)31-10-23(25,26)11-31)17-7-16(5-6-18(17)24)33-9-15(32)8-27-4/h5-7,15,27,32H,8-11H2,1-4H3/t15-/m1/s1.

What are the key properties of RSRIFUJXXBSNRI-OAHLLOKOSA-N?

RSRIFUJXXBSNRI-OAHLLOKOSA-N has a molecular weight of 493.94 g/mol, XLogP of 3.79, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for RSRIFUJXXBSNRI-OAHLLOKOSA-N is sourced from PubChem (CID 118881418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 118881418 — identifiers, structure, computed properties (public domain)

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