(5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-[6-[(2H-triazol-4-ylmethylamino)methyl]-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one

C22H18F3N7O4 — CID 25185000

About (5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-[6-[(2H-triazol-4-ylmethylamino)methyl]-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one

(5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-[6-[(2H-triazol-4-ylmethylamino)methyl]-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 25185000) has the molecular formula C22H18F3N7O4 and a molecular weight of 501.43 g/mol. Its IUPAC name is (5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-[6-[(2H-triazol-4-ylmethylamino)methyl]-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-[6-[(2H-triazol-4-ylmethylamino)methyl]-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one
• PubChem CID: 25185000
• Molecular Formula: C22H18F3N7O4
• Molecular Weight: 501.43 g/mol
• Exact Mass: 501.14
• IUPAC Name: (5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-[6-[(2H-triazol-4-ylmethylamino)methyl]-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one
• SMILES: O=C1O[C@@H](COc2ccon2)CN1c1cc(F)c(-c2ccc(CNCc3cn[nH]n3)nc2)c(F)c1F
• InChI: InChI=1S/C22H18F3N7O4/c23-16-5-17(32-10-15(36-22(32)33)11-34-18-3-4-35-30-18)20(24)21(25)19(16)12-1-2-13(27-6-12)7-26-8-14-9-28-31-29-14/h1-6,9,15,26H,7-8,10-11H2,(H,28,29,31)/t15-/m1/s1
• InChIKey: JPRILTKQXCVYNA-OAHLLOKOSA-N
• XLogP: 2.97
• TPSA: 131.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.43
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-[6-[(2H-triazol-4-ylmethylamino)methyl]-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one?

The IUPAC name of (5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-[6-[(2H-triazol-4-ylmethylamino)methyl]-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one (CID 25185000) is (5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-[6-[(2H-triazol-4-ylmethylamino)methyl]-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one.

What is the SMILES notation for (5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-[6-[(2H-triazol-4-ylmethylamino)methyl]-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one?

The canonical SMILES for (5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-[6-[(2H-triazol-4-ylmethylamino)methyl]-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one is O=C1O[C@@H](COc2ccon2)CN1c1cc(F)c(-c2ccc(CNCc3cn[nH]n3)nc2)c(F)c1F.

What is the InChIKey of (5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-[6-[(2H-triazol-4-ylmethylamino)methyl]-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one?

The InChIKey is JPRILTKQXCVYNA-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H18F3N7O4/c23-16-5-17(32-10-15(36-22(32)33)11-34-18-3-4-35-30-18)20(24)21(25)19(16)12-1-2-13(27-6-12)7-26-8-14-9-28-31-29-14/h1-6,9,15,26H,7-8,10-11H2,(H,28,29,31)/t15-/m1/s1.

What are the key properties of (5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-[6-[(2H-triazol-4-ylmethylamino)methyl]-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one?

(5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-[6-[(2H-triazol-4-ylmethylamino)methyl]-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 501.43 g/mol, XLogP of 2.97, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-5-(1,2-oxazol-3-yloxymethyl)-3-[2,3,5-trifluoro-4-[6-[(2H-triazol-4-ylmethylamino)methyl]-3-pyridinyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 25185000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).