(5R)-3-[3-fluoro-4-[6-[(1R,5S)-6-(hydroxymethyl)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

C23H22FN5O4 — CID 11316902

About (5R)-3-[3-fluoro-4-[6-[(1R,5S)-6-(hydroxymethyl)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one

(5R)-3-[3-fluoro-4-[6-[(1R,5S)-6-(hydroxymethyl)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 11316902) has the molecular formula C23H22FN5O4 and a molecular weight of 451.46 g/mol. Its IUPAC name is (5R)-3-[3-fluoro-4-[6-[(1R,5S)-6-(hydroxymethyl)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (5R)-3-[3-fluoro-4-[6-[(1R,5S)-6-(hydroxymethyl)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
• PubChem CID: 11316902
• Molecular Formula: C23H22FN5O4
• Molecular Weight: 451.46 g/mol
• Exact Mass: 451.17
• IUPAC Name: (5R)-3-[3-fluoro-4-[6-[(1R,5S)-6-(hydroxymethyl)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one
• SMILES: O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccc(C3(CO)[C@@H]4COC[C@@H]43)nc2)c(F)c1
• InChI: InChI=1S/C23H22FN5O4/c24-20-7-15(29-10-16(33-22(29)31)9-28-6-5-26-27-28)2-3-17(20)14-1-4-21(25-8-14)23(13-30)18-11-32-12-19(18)23/h1-8,16,18-19,30H,9-13H2/t16-,18-,19+,23?/m0/s1
• InChIKey: OUGPJUWDLVRBAD-UNDBCUNFSA-N
• XLogP: 2.01
• TPSA: 102.60 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	451.46
LogP ≤ 5	2.01
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[3-fluoro-4-[6-[(1R,5S)-6-(hydroxymethyl)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?

The IUPAC name of (5R)-3-[3-fluoro-4-[6-[(1R,5S)-6-(hydroxymethyl)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one (CID 11316902) is (5R)-3-[3-fluoro-4-[6-[(1R,5S)-6-(hydroxymethyl)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one.

What is the SMILES notation for (5R)-3-[3-fluoro-4-[6-[(1R,5S)-6-(hydroxymethyl)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?

The canonical SMILES for (5R)-3-[3-fluoro-4-[6-[(1R,5S)-6-(hydroxymethyl)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is O=C1O[C@@H](Cn2ccnn2)CN1c1ccc(-c2ccc(C3(CO)[C@@H]4COC[C@@H]43)nc2)c(F)c1.

What is the InChIKey of (5R)-3-[3-fluoro-4-[6-[(1R,5S)-6-(hydroxymethyl)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?

The InChIKey is OUGPJUWDLVRBAD-UNDBCUNFSA-N. The full InChI is InChI=1S/C23H22FN5O4/c24-20-7-15(29-10-16(33-22(29)31)9-28-6-5-26-27-28)2-3-17(20)14-1-4-21(25-8-14)23(13-30)18-11-32-12-19(18)23/h1-8,16,18-19,30H,9-13H2/t16-,18-,19+,23?/m0/s1.

What are the key properties of (5R)-3-[3-fluoro-4-[6-[(1R,5S)-6-(hydroxymethyl)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one?

(5R)-3-[3-fluoro-4-[6-[(1R,5S)-6-(hydroxymethyl)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 451.46 g/mol, XLogP of 2.01, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-3-[3-fluoro-4-[6-[(1R,5S)-6-(hydroxymethyl)-3-oxabicyclo[3.1.0]hexan-6-yl]-3-pyridinyl]phenyl]-5-(triazol-1-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 11316902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).