[(1S)-1-(4-fluorophenyl)-5-oxo-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentyl] acetate

C22H22FNO5 — CID 46856302

IUPAC[(1S)-1-(4-fluorophenyl)-5-oxo-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentyl] acetate
SMILESCC(=O)O[C@@H](CCCC(=O)N1C(=O)OC[C@@H]1c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C22H22FNO5/c1-15(25)29-20(17-10-12-18(23)13-11-17)8-5-9-21(26)24-19(14-28-22(24)27)16-6-3-2-4-7-16/h2-4,6-7,10-13,19-20H,5,8-9,14H2,1H3/t19-,20+/m1/s1
InChIKeyRVZCOWDYEYRQKT-UXHICEINSA-N
MW399.42 g/mol
LogP4.32
Rot. Bonds7

About [(1S)-1-(4-fluorophenyl)-5-oxo-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentyl] acetate

[(1S)-1-(4-fluorophenyl)-5-oxo-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentyl] acetate (PubChem CID 46856302) has the molecular formula C22H22FNO5 and a molecular weight of 399.42 g/mol. Its IUPAC name is [(1S)-1-(4-fluorophenyl)-5-oxo-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentyl] acetate.

Molecular Properties

Compound Name[(1S)-1-(4-fluorophenyl)-5-oxo-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentyl] acetate
PubChem CID46856302
Molecular FormulaC22H22FNO5
Molecular Weight399.42 g/mol
Exact Mass399.15
IUPAC Name[(1S)-1-(4-fluorophenyl)-5-oxo-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentyl] acetate
SMILESCC(=O)O[C@@H](CCCC(=O)N1C(=O)OC[C@@H]1c1ccccc1)c1ccc(F)cc1
InChIInChI=1S/C22H22FNO5/c1-15(25)29-20(17-10-12-18(23)13-11-17)8-5-9-21(26)24-19(14-28-22(24)27)16-6-3-2-4-7-16/h2-4,6-7,10-13,19-20H,5,8-9,14H2,1H3/t19-,20+/m1/s1
InChIKeyRVZCOWDYEYRQKT-UXHICEINSA-N
XLogP4.32
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.42
LogP ≤ 54.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(1S)-1-(4-fluorophenyl)-5-oxo-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentyl] acetate?
The IUPAC name of [(1S)-1-(4-fluorophenyl)-5-oxo-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentyl] acetate (CID 46856302) is [(1S)-1-(4-fluorophenyl)-5-oxo-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentyl] acetate.
What is the SMILES notation for [(1S)-1-(4-fluorophenyl)-5-oxo-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentyl] acetate?
The canonical SMILES for [(1S)-1-(4-fluorophenyl)-5-oxo-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentyl] acetate is CC(=O)O[C@@H](CCCC(=O)N1C(=O)OC[C@@H]1c1ccccc1)c1ccc(F)cc1.
What is the InChIKey of [(1S)-1-(4-fluorophenyl)-5-oxo-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentyl] acetate?
The InChIKey is RVZCOWDYEYRQKT-UXHICEINSA-N. The full InChI is InChI=1S/C22H22FNO5/c1-15(25)29-20(17-10-12-18(23)13-11-17)8-5-9-21(26)24-19(14-28-22(24)27)16-6-3-2-4-7-16/h2-4,6-7,10-13,19-20H,5,8-9,14H2,1H3/t19-,20+/m1/s1.
What are the key properties of [(1S)-1-(4-fluorophenyl)-5-oxo-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentyl] acetate?
[(1S)-1-(4-fluorophenyl)-5-oxo-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentyl] acetate has a molecular weight of 399.42 g/mol, XLogP of 4.32, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1S)-1-(4-fluorophenyl)-5-oxo-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]pentyl] acetate is sourced from PubChem (CID 46856302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).