4-benzyl-3-[5-(4-fluorophenyl)-5-hydroxypentanoyl]-1,3-oxazolidin-2-one

C21H22FNO4 — CID 53395252

IUPAC4-benzyl-3-[5-(4-fluorophenyl)-5-hydroxypentanoyl]-1,3-oxazolidin-2-one
SMILESO=C(CCCC(O)c1ccc(F)cc1)N1C(=O)OCC1Cc1ccccc1
InChIInChI=1S/C21H22FNO4/c22-17-11-9-16(10-12-17)19(24)7-4-8-20(25)23-18(14-27-21(23)26)13-15-5-2-1-3-6-15/h1-3,5-6,9-12,18-19,24H,4,7-8,13-14H2
InChIKeyHHUXYEQQINYZFS-UHFFFAOYSA-N
MW371.41 g/mol
LogP3.62
Rot. Bonds7

About 4-benzyl-3-[5-(4-fluorophenyl)-5-hydroxypentanoyl]-1,3-oxazolidin-2-one

4-benzyl-3-[5-(4-fluorophenyl)-5-hydroxypentanoyl]-1,3-oxazolidin-2-one (PubChem CID 53395252) has the molecular formula C21H22FNO4 and a molecular weight of 371.41 g/mol. Its IUPAC name is 4-benzyl-3-[5-(4-fluorophenyl)-5-hydroxypentanoyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-benzyl-3-[5-(4-fluorophenyl)-5-hydroxypentanoyl]-1,3-oxazolidin-2-one
PubChem CID53395252
Molecular FormulaC21H22FNO4
Molecular Weight371.41 g/mol
Exact Mass371.15
IUPAC Name4-benzyl-3-[5-(4-fluorophenyl)-5-hydroxypentanoyl]-1,3-oxazolidin-2-one
SMILESO=C(CCCC(O)c1ccc(F)cc1)N1C(=O)OCC1Cc1ccccc1
InChIInChI=1S/C21H22FNO4/c22-17-11-9-16(10-12-17)19(24)7-4-8-20(25)23-18(14-27-21(23)26)13-15-5-2-1-3-6-15/h1-3,5-6,9-12,18-19,24H,4,7-8,13-14H2
InChIKeyHHUXYEQQINYZFS-UHFFFAOYSA-N
XLogP3.62
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.41
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-[5-(4-fluorophenyl)-5-hydroxypentanoyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-benzyl-3-[5-(4-fluorophenyl)-5-hydroxypentanoyl]-1,3-oxazolidin-2-one (CID 53395252) is 4-benzyl-3-[5-(4-fluorophenyl)-5-hydroxypentanoyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-benzyl-3-[5-(4-fluorophenyl)-5-hydroxypentanoyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-benzyl-3-[5-(4-fluorophenyl)-5-hydroxypentanoyl]-1,3-oxazolidin-2-one is O=C(CCCC(O)c1ccc(F)cc1)N1C(=O)OCC1Cc1ccccc1.
What is the InChIKey of 4-benzyl-3-[5-(4-fluorophenyl)-5-hydroxypentanoyl]-1,3-oxazolidin-2-one?
The InChIKey is HHUXYEQQINYZFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FNO4/c22-17-11-9-16(10-12-17)19(24)7-4-8-20(25)23-18(14-27-21(23)26)13-15-5-2-1-3-6-15/h1-3,5-6,9-12,18-19,24H,4,7-8,13-14H2.
What are the key properties of 4-benzyl-3-[5-(4-fluorophenyl)-5-hydroxypentanoyl]-1,3-oxazolidin-2-one?
4-benzyl-3-[5-(4-fluorophenyl)-5-hydroxypentanoyl]-1,3-oxazolidin-2-one has a molecular weight of 371.41 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-[5-(4-fluorophenyl)-5-hydroxypentanoyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 53395252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).