(5R)-3-[4-[6-[[2,3-dihydroxypropyl(methyl)amino]methyl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

C22H25FN6O4 — CID 11568737

About (5R)-3-[4-[6-[[2,3-dihydroxypropyl(methyl)amino]methyl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

(5R)-3-[4-[6-[[2,3-dihydroxypropyl(methyl)amino]methyl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 11568737) has the molecular formula C22H25FN6O4 and a molecular weight of 456.48 g/mol. Its IUPAC name is (5R)-3-[4-[6-[[2,3-dihydroxypropyl(methyl)amino]methyl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (5R)-3-[4-[6-[[2,3-dihydroxypropyl(methyl)amino]methyl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
• PubChem CID: 11568737
• Molecular Formula: C22H25FN6O4
• Molecular Weight: 456.48 g/mol
• Exact Mass: 456.19
• IUPAC Name: (5R)-3-[4-[6-[[2,3-dihydroxypropyl(methyl)amino]methyl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
• SMILES: CN(Cc1ccc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)cn1)CC(O)CO
• InChI: InChI=1S/C22H25FN6O4/c1-27(11-18(31)14-30)10-16-3-2-15(9-24-16)20-5-4-17(8-21(20)23)29-13-19(33-22(29)32)12-28-7-6-25-26-28/h2-9,18-19,30-31H,10-14H2,1H3/t18?,19-/m0/s1
• InChIKey: VEQVRJSPYUCLOL-GGYWPGCISA-N
• XLogP: 1.29
• TPSA: 116.84 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	456.48
LogP ≤ 5	1.29
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[4-[6-[[2,3-dihydroxypropyl(methyl)amino]methyl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?

The IUPAC name of (5R)-3-[4-[6-[[2,3-dihydroxypropyl(methyl)amino]methyl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 11568737) is (5R)-3-[4-[6-[[2,3-dihydroxypropyl(methyl)amino]methyl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

What is the SMILES notation for (5R)-3-[4-[6-[[2,3-dihydroxypropyl(methyl)amino]methyl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?

The canonical SMILES for (5R)-3-[4-[6-[[2,3-dihydroxypropyl(methyl)amino]methyl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is CN(Cc1ccc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)cn1)CC(O)CO.

What is the InChIKey of (5R)-3-[4-[6-[[2,3-dihydroxypropyl(methyl)amino]methyl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?

The InChIKey is VEQVRJSPYUCLOL-GGYWPGCISA-N. The full InChI is InChI=1S/C22H25FN6O4/c1-27(11-18(31)14-30)10-16-3-2-15(9-24-16)20-5-4-17(8-21(20)23)29-13-19(33-22(29)32)12-28-7-6-25-26-28/h2-9,18-19,30-31H,10-14H2,1H3/t18?,19-/m0/s1.

What are the key properties of (5R)-3-[4-[6-[[2,3-dihydroxypropyl(methyl)amino]methyl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?

(5R)-3-[4-[6-[[2,3-dihydroxypropyl(methyl)amino]methyl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 456.48 g/mol, XLogP of 1.29, 9 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-3-[4-[6-[[2,3-dihydroxypropyl(methyl)amino]methyl]-3-pyridinyl]-3-fluorophenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 11568737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).