(5R)-3-[3-fluoro-4-[6-(1-hydroxy-2-methylpropyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

C21H22FN5O3 — CID 23626438

About (5R)-3-[3-fluoro-4-[6-(1-hydroxy-2-methylpropyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

(5R)-3-[3-fluoro-4-[6-(1-hydroxy-2-methylpropyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 23626438) has the molecular formula C21H22FN5O3 and a molecular weight of 411.44 g/mol. Its IUPAC name is (5R)-3-[3-fluoro-4-[6-(1-hydroxy-2-methylpropyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (5R)-3-[3-fluoro-4-[6-(1-hydroxy-2-methylpropyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
• PubChem CID: 23626438
• Molecular Formula: C21H22FN5O3
• Molecular Weight: 411.44 g/mol
• Exact Mass: 411.17
• IUPAC Name: (5R)-3-[3-fluoro-4-[6-(1-hydroxy-2-methylpropyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
• SMILES: CC(C)C(O)c1ccc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)cn1
• InChI: InChI=1S/C21H22FN5O3/c1-13(2)20(28)19-6-3-14(10-23-19)17-5-4-15(9-18(17)22)27-12-16(30-21(27)29)11-26-8-7-24-25-26/h3-10,13,16,20,28H,11-12H2,1-2H3/t16-,20?/m0/s1
• InChIKey: PUBDUMTUCAPLSL-DJZRFWRSSA-N
• XLogP: 3.19
• TPSA: 93.37 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	411.44
LogP ≤ 5	3.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[3-fluoro-4-[6-(1-hydroxy-2-methylpropyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?

The IUPAC name of (5R)-3-[3-fluoro-4-[6-(1-hydroxy-2-methylpropyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 23626438) is (5R)-3-[3-fluoro-4-[6-(1-hydroxy-2-methylpropyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

What is the SMILES notation for (5R)-3-[3-fluoro-4-[6-(1-hydroxy-2-methylpropyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?

The canonical SMILES for (5R)-3-[3-fluoro-4-[6-(1-hydroxy-2-methylpropyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is CC(C)C(O)c1ccc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)cn1.

What is the InChIKey of (5R)-3-[3-fluoro-4-[6-(1-hydroxy-2-methylpropyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?

The InChIKey is PUBDUMTUCAPLSL-DJZRFWRSSA-N. The full InChI is InChI=1S/C21H22FN5O3/c1-13(2)20(28)19-6-3-14(10-23-19)17-5-4-15(9-18(17)22)27-12-16(30-21(27)29)11-26-8-7-24-25-26/h3-10,13,16,20,28H,11-12H2,1-2H3/t16-,20?/m0/s1.

What are the key properties of (5R)-3-[3-fluoro-4-[6-(1-hydroxy-2-methylpropyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?

(5R)-3-[3-fluoro-4-[6-(1-hydroxy-2-methylpropyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 411.44 g/mol, XLogP of 3.19, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-3-[3-fluoro-4-[6-(1-hydroxy-2-methylpropyl)-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 23626438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).