4-phenyl-3-(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)-1,3-oxazolidin-2-one

C19H16F3NO4 — CID 162535976

IUPAC4-phenyl-3-(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)-1,3-oxazolidin-2-one
SMILESCOC(C(=O)N1C(=O)OCC1c1ccccc1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C19H16F3NO4/c1-26-18(19(20,21)22,14-10-6-3-7-11-14)16(24)23-15(12-27-17(23)25)13-8-4-2-5-9-13/h2-11,15H,12H2,1H3
InChIKeyRTDVIVVOUHANQZ-UHFFFAOYSA-N
MW379.33 g/mol
LogP3.81
Rot. Bonds4

About 4-phenyl-3-(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)-1,3-oxazolidin-2-one

4-phenyl-3-(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)-1,3-oxazolidin-2-one (PubChem CID 162535976) has the molecular formula C19H16F3NO4 and a molecular weight of 379.33 g/mol. Its IUPAC name is 4-phenyl-3-(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-phenyl-3-(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)-1,3-oxazolidin-2-one
PubChem CID162535976
Molecular FormulaC19H16F3NO4
Molecular Weight379.33 g/mol
Exact Mass379.10
IUPAC Name4-phenyl-3-(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)-1,3-oxazolidin-2-one
SMILESCOC(C(=O)N1C(=O)OCC1c1ccccc1)(c1ccccc1)C(F)(F)F
InChIInChI=1S/C19H16F3NO4/c1-26-18(19(20,21)22,14-10-6-3-7-11-14)16(24)23-15(12-27-17(23)25)13-8-4-2-5-9-13/h2-11,15H,12H2,1H3
InChIKeyRTDVIVVOUHANQZ-UHFFFAOYSA-N
XLogP3.81
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.33
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-phenyl-3-(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)-1,3-oxazolidin-2-one (CID 162535976) is 4-phenyl-3-(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-phenyl-3-(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-phenyl-3-(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)-1,3-oxazolidin-2-one is COC(C(=O)N1C(=O)OCC1c1ccccc1)(c1ccccc1)C(F)(F)F.
What is the InChIKey of 4-phenyl-3-(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)-1,3-oxazolidin-2-one?
The InChIKey is RTDVIVVOUHANQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO4/c1-26-18(19(20,21)22,14-10-6-3-7-11-14)16(24)23-15(12-27-17(23)25)13-8-4-2-5-9-13/h2-11,15H,12H2,1H3.
What are the key properties of 4-phenyl-3-(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)-1,3-oxazolidin-2-one?
4-phenyl-3-(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)-1,3-oxazolidin-2-one has a molecular weight of 379.33 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-(3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 162535976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).