(5S)-3-[6-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

C₁₉H₂₀FN₃O₄ — CID 143639048

About (5S)-3-[6-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

(5S)-3-[6-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 143639048) has the molecular formula C₁₉H₂₀FN₃O₄ and a molecular weight of 373.38 g/mol. Its IUPAC name is (5S)-3-[6-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (5S)-3-[6-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
• PubChem CID: 143639048
• Molecular Formula: C₁₉H₂₀FN₃O₄
• Molecular Weight: 373.38 g/mol
• Exact Mass: 373.14
• IUPAC Name: (5S)-3-[6-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
• SMILES: O=C1O[C@H](CO)CN1c1ccc(N2CCC(Oc3ccccc3F)C2)nc1
• InChI: InChI=1S/C19H20FN3O4/c20-16-3-1-2-4-17(16)26-14-7-8-22(10-14)18-6-5-13(9-21-18)23-11-15(12-24)27-19(23)25/h1-6,9,14-15,24H,7-8,10-12H2/t14?,15-/m0/s1
• InChIKey: RUENYXCLAYUBAB-LOACHALJSA-N
• XLogP: 2.20
• TPSA: 75.13 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	373.38
LogP ≤ 5	2.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (5S)-3-[6-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?

The IUPAC name of (5S)-3-[6-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 143639048) is (5S)-3-[6-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one.

What is the SMILES notation for (5S)-3-[6-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?

The canonical SMILES for (5S)-3-[6-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is O=C1O[C@H](CO)CN1c1ccc(N2CCC(Oc3ccccc3F)C2)nc1.

What is the InChIKey of (5S)-3-[6-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?

The InChIKey is RUENYXCLAYUBAB-LOACHALJSA-N. The full InChI is InChI=1S/C19H20FN3O4/c20-16-3-1-2-4-17(16)26-14-7-8-22(10-14)18-6-5-13(9-21-18)23-11-15(12-24)27-19(23)25/h1-6,9,14-15,24H,7-8,10-12H2/t14?,15-/m0/s1.

What are the key properties of (5S)-3-[6-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?

(5S)-3-[6-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 373.38 g/mol, XLogP of 2.20, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (5S)-3-[6-[3-(2-fluorophenoxy)pyrrolidin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 143639048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

Sources

• PubChem CID 143639048 — identifiers, structure, computed properties (public domain)

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