3-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-1,3-oxazolidin-2-one

C21H18FN3O3 — CID 11696556

IUPAC3-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C(c1ccc(F)cc1)C(O)(c1cccnc1)c1cccnc1
InChIInChI=1S/C21H18FN3O3/c22-18-7-5-15(6-8-18)19(25-11-12-28-20(25)26)21(27,16-3-1-9-23-13-16)17-4-2-10-24-14-17/h1-10,13-14,19,27H,11-12H2
InChIKeyYKFAIMQWGDWAPO-UHFFFAOYSA-N
MW379.39 g/mol
LogP3.05
Rot. Bonds5

About 3-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-1,3-oxazolidin-2-one

3-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-1,3-oxazolidin-2-one (PubChem CID 11696556) has the molecular formula C21H18FN3O3 and a molecular weight of 379.39 g/mol. Its IUPAC name is 3-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-1,3-oxazolidin-2-one
PubChem CID11696556
Molecular FormulaC21H18FN3O3
Molecular Weight379.39 g/mol
Exact Mass379.13
IUPAC Name3-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C(c1ccc(F)cc1)C(O)(c1cccnc1)c1cccnc1
InChIInChI=1S/C21H18FN3O3/c22-18-7-5-15(6-8-18)19(25-11-12-28-20(25)26)21(27,16-3-1-9-23-13-16)17-4-2-10-24-14-17/h1-10,13-14,19,27H,11-12H2
InChIKeyYKFAIMQWGDWAPO-UHFFFAOYSA-N
XLogP3.05
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-1,3-oxazolidin-2-one (CID 11696556) is 3-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-1,3-oxazolidin-2-one is O=C1OCCN1C(c1ccc(F)cc1)C(O)(c1cccnc1)c1cccnc1.
What is the InChIKey of 3-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-1,3-oxazolidin-2-one?
The InChIKey is YKFAIMQWGDWAPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN3O3/c22-18-7-5-15(6-8-18)19(25-11-12-28-20(25)26)21(27,16-3-1-9-23-13-16)17-4-2-10-24-14-17/h1-10,13-14,19,27H,11-12H2.
What are the key properties of 3-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-1,3-oxazolidin-2-one?
3-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-1,3-oxazolidin-2-one has a molecular weight of 379.39 g/mol, XLogP of 3.05, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-fluorophenyl)-2-hydroxy-2,2-dipyridin-3-ylethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 11696556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).