5-(4-fluorophenyl)-5-hydroxy-1-(4-phenyl-1,3-oxazolidin-3-yl)pentan-1-one

C20H22FNO3 — CID 78036039

IUPAC5-(4-fluorophenyl)-5-hydroxy-1-(4-phenyl-1,3-oxazolidin-3-yl)pentan-1-one
SMILESO=C(CCCC(O)c1ccc(F)cc1)N1COCC1c1ccccc1
InChIInChI=1S/C20H22FNO3/c21-17-11-9-16(10-12-17)19(23)7-4-8-20(24)22-14-25-13-18(22)15-5-2-1-3-6-15/h1-3,5-6,9-12,18-19,23H,4,7-8,13-14H2
InChIKeyARAVNZKWPSJLCD-UHFFFAOYSA-N
MW343.40 g/mol
LogP3.59
Rot. Bonds6

About 5-(4-fluorophenyl)-5-hydroxy-1-(4-phenyl-1,3-oxazolidin-3-yl)pentan-1-one

5-(4-fluorophenyl)-5-hydroxy-1-(4-phenyl-1,3-oxazolidin-3-yl)pentan-1-one (PubChem CID 78036039) has the molecular formula C20H22FNO3 and a molecular weight of 343.40 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-5-hydroxy-1-(4-phenyl-1,3-oxazolidin-3-yl)pentan-1-one.

Molecular Properties

Compound Name5-(4-fluorophenyl)-5-hydroxy-1-(4-phenyl-1,3-oxazolidin-3-yl)pentan-1-one
PubChem CID78036039
Molecular FormulaC20H22FNO3
Molecular Weight343.40 g/mol
Exact Mass343.16
IUPAC Name5-(4-fluorophenyl)-5-hydroxy-1-(4-phenyl-1,3-oxazolidin-3-yl)pentan-1-one
SMILESO=C(CCCC(O)c1ccc(F)cc1)N1COCC1c1ccccc1
InChIInChI=1S/C20H22FNO3/c21-17-11-9-16(10-12-17)19(23)7-4-8-20(24)22-14-25-13-18(22)15-5-2-1-3-6-15/h1-3,5-6,9-12,18-19,23H,4,7-8,13-14H2
InChIKeyARAVNZKWPSJLCD-UHFFFAOYSA-N
XLogP3.59
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.40
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-5-hydroxy-1-(4-phenyl-1,3-oxazolidin-3-yl)pentan-1-one?
The IUPAC name of 5-(4-fluorophenyl)-5-hydroxy-1-(4-phenyl-1,3-oxazolidin-3-yl)pentan-1-one (CID 78036039) is 5-(4-fluorophenyl)-5-hydroxy-1-(4-phenyl-1,3-oxazolidin-3-yl)pentan-1-one.
What is the SMILES notation for 5-(4-fluorophenyl)-5-hydroxy-1-(4-phenyl-1,3-oxazolidin-3-yl)pentan-1-one?
The canonical SMILES for 5-(4-fluorophenyl)-5-hydroxy-1-(4-phenyl-1,3-oxazolidin-3-yl)pentan-1-one is O=C(CCCC(O)c1ccc(F)cc1)N1COCC1c1ccccc1.
What is the InChIKey of 5-(4-fluorophenyl)-5-hydroxy-1-(4-phenyl-1,3-oxazolidin-3-yl)pentan-1-one?
The InChIKey is ARAVNZKWPSJLCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22FNO3/c21-17-11-9-16(10-12-17)19(23)7-4-8-20(24)22-14-25-13-18(22)15-5-2-1-3-6-15/h1-3,5-6,9-12,18-19,23H,4,7-8,13-14H2.
What are the key properties of 5-(4-fluorophenyl)-5-hydroxy-1-(4-phenyl-1,3-oxazolidin-3-yl)pentan-1-one?
5-(4-fluorophenyl)-5-hydroxy-1-(4-phenyl-1,3-oxazolidin-3-yl)pentan-1-one has a molecular weight of 343.40 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-5-hydroxy-1-(4-phenyl-1,3-oxazolidin-3-yl)pentan-1-one is sourced from PubChem (CID 78036039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).