5-[2-(4-chlorophenoxy)-1-hydroxyethyl]-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one

C23H19ClFNO5 — CID 69171990

IUPAC5-[2-(4-chlorophenoxy)-1-hydroxyethyl]-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(C(O)COc2ccc(Cl)cc2)C(c2ccc(O)cc2)N1c1ccc(F)cc1
InChIInChI=1S/C23H19ClFNO5/c24-15-3-11-19(12-4-15)30-13-20(28)22-21(14-1-9-18(27)10-2-14)26(23(29)31-22)17-7-5-16(25)6-8-17/h1-12,20-22,27-28H,13H2
InChIKeyDPEQAJHRCJASTE-UHFFFAOYSA-N
MW443.86 g/mol
LogP4.69
Rot. Bonds6

About 5-[2-(4-chlorophenoxy)-1-hydroxyethyl]-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one

5-[2-(4-chlorophenoxy)-1-hydroxyethyl]-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one (PubChem CID 69171990) has the molecular formula C23H19ClFNO5 and a molecular weight of 443.86 g/mol. Its IUPAC name is 5-[2-(4-chlorophenoxy)-1-hydroxyethyl]-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[2-(4-chlorophenoxy)-1-hydroxyethyl]-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
PubChem CID69171990
Molecular FormulaC23H19ClFNO5
Molecular Weight443.86 g/mol
Exact Mass443.09
IUPAC Name5-[2-(4-chlorophenoxy)-1-hydroxyethyl]-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
SMILESO=C1OC(C(O)COc2ccc(Cl)cc2)C(c2ccc(O)cc2)N1c1ccc(F)cc1
InChIInChI=1S/C23H19ClFNO5/c24-15-3-11-19(12-4-15)30-13-20(28)22-21(14-1-9-18(27)10-2-14)26(23(29)31-22)17-7-5-16(25)6-8-17/h1-12,20-22,27-28H,13H2
InChIKeyDPEQAJHRCJASTE-UHFFFAOYSA-N
XLogP4.69
TPSA79.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.86
LogP ≤ 54.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-chlorophenoxy)-1-hydroxyethyl]-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-[2-(4-chlorophenoxy)-1-hydroxyethyl]-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one (CID 69171990) is 5-[2-(4-chlorophenoxy)-1-hydroxyethyl]-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[2-(4-chlorophenoxy)-1-hydroxyethyl]-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[2-(4-chlorophenoxy)-1-hydroxyethyl]-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one is O=C1OC(C(O)COc2ccc(Cl)cc2)C(c2ccc(O)cc2)N1c1ccc(F)cc1.
What is the InChIKey of 5-[2-(4-chlorophenoxy)-1-hydroxyethyl]-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one?
The InChIKey is DPEQAJHRCJASTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19ClFNO5/c24-15-3-11-19(12-4-15)30-13-20(28)22-21(14-1-9-18(27)10-2-14)26(23(29)31-22)17-7-5-16(25)6-8-17/h1-12,20-22,27-28H,13H2.
What are the key properties of 5-[2-(4-chlorophenoxy)-1-hydroxyethyl]-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one?
5-[2-(4-chlorophenoxy)-1-hydroxyethyl]-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one has a molecular weight of 443.86 g/mol, XLogP of 4.69, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-chlorophenoxy)-1-hydroxyethyl]-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 69171990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).