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

C17H16FNO3 — CID 11335620

IUPAC[3-(4-fluorophenyl)-2-phenyl-1,2-oxazolidin-5-yl] acetate
SMILESCC(=O)OC1CC(c2ccc(F)cc2)N(c2ccccc2)O1
InChIInChI=1S/C17H16FNO3/c1-12(20)21-17-11-16(13-7-9-14(18)10-8-13)19(22-17)15-5-3-2-4-6-15/h2-10,16-17H,11H2,1H3
InChIKeyBDXVKKQMNCIVIB-UHFFFAOYSA-N
MW301.32 g/mol
LogP3.60
Rot. Bonds3

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

[3-(4-fluorophenyl)-2-phenyl-1,2-oxazolidin-5-yl] acetate (PubChem CID 11335620) has the molecular formula C17H16FNO3 and a molecular weight of 301.32 g/mol. Its IUPAC name is [3-(4-fluorophenyl)-2-phenyl-1,2-oxazolidin-5-yl] acetate.

Molecular Properties

Compound Name[3-(4-fluorophenyl)-2-phenyl-1,2-oxazolidin-5-yl] acetate
PubChem CID11335620
Molecular FormulaC17H16FNO3
Molecular Weight301.32 g/mol
Exact Mass301.11
IUPAC Name[3-(4-fluorophenyl)-2-phenyl-1,2-oxazolidin-5-yl] acetate
SMILESCC(=O)OC1CC(c2ccc(F)cc2)N(c2ccccc2)O1
InChIInChI=1S/C17H16FNO3/c1-12(20)21-17-11-16(13-7-9-14(18)10-8-13)19(22-17)15-5-3-2-4-6-15/h2-10,16-17H,11H2,1H3
InChIKeyBDXVKKQMNCIVIB-UHFFFAOYSA-N
XLogP3.60
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.32
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [3-(4-fluorophenyl)-2-phenyl-1,2-oxazolidin-5-yl] acetate?
The IUPAC name of [3-(4-fluorophenyl)-2-phenyl-1,2-oxazolidin-5-yl] acetate (CID 11335620) is [3-(4-fluorophenyl)-2-phenyl-1,2-oxazolidin-5-yl] acetate.
What is the SMILES notation for [3-(4-fluorophenyl)-2-phenyl-1,2-oxazolidin-5-yl] acetate?
The canonical SMILES for [3-(4-fluorophenyl)-2-phenyl-1,2-oxazolidin-5-yl] acetate is CC(=O)OC1CC(c2ccc(F)cc2)N(c2ccccc2)O1.
What is the InChIKey of [3-(4-fluorophenyl)-2-phenyl-1,2-oxazolidin-5-yl] acetate?
The InChIKey is BDXVKKQMNCIVIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FNO3/c1-12(20)21-17-11-16(13-7-9-14(18)10-8-13)19(22-17)15-5-3-2-4-6-15/h2-10,16-17H,11H2,1H3.
What are the key properties of [3-(4-fluorophenyl)-2-phenyl-1,2-oxazolidin-5-yl] acetate?
[3-(4-fluorophenyl)-2-phenyl-1,2-oxazolidin-5-yl] acetate has a molecular weight of 301.32 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-fluorophenyl)-2-phenyl-1,2-oxazolidin-5-yl] acetate is sourced from PubChem (CID 11335620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).