(5R)-3-[4-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

C18H18FN3O3 — CID 59097837

About (5R)-3-[4-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

(5R)-3-[4-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 59097837) has the molecular formula C18H18FN3O3 and a molecular weight of 343.36 g/mol. Its IUPAC name is (5R)-3-[4-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (5R)-3-[4-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
• PubChem CID: 59097837
• Molecular Formula: C18H18FN3O3
• Molecular Weight: 343.36 g/mol
• Exact Mass: 343.13
• IUPAC Name: (5R)-3-[4-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
• SMILES: O=C1O[C@@H](CO)CN1c1ccc(N2CCc3cnccc3C2)c(F)c1
• InChI: InChI=1S/C18H18FN3O3/c19-16-7-14(22-10-15(11-23)25-18(22)24)1-2-17(16)21-6-4-12-8-20-5-3-13(12)9-21/h1-3,5,7-8,15,23H,4,6,9-11H2/t15-/m1/s1
• InChIKey: WBMQDVANDLSKIL-OAHLLOKOSA-N
• XLogP: 2.10
• TPSA: 65.90 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 3
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.36
LogP ≤ 5	2.10
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[4-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?

The IUPAC name of (5R)-3-[4-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 59097837) is (5R)-3-[4-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one.

What is the SMILES notation for (5R)-3-[4-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?

The canonical SMILES for (5R)-3-[4-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is O=C1O[C@@H](CO)CN1c1ccc(N2CCc3cnccc3C2)c(F)c1.

What is the InChIKey of (5R)-3-[4-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?

The InChIKey is WBMQDVANDLSKIL-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H18FN3O3/c19-16-7-14(22-10-15(11-23)25-18(22)24)1-2-17(16)21-6-4-12-8-20-5-3-13(12)9-21/h1-3,5,7-8,15,23H,4,6,9-11H2/t15-/m1/s1.

What are the key properties of (5R)-3-[4-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?

(5R)-3-[4-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 343.36 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-3-[4-(3,4-dihydro-1H-2,6-naphthyridin-2-yl)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 59097837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).