3-[(2R)-2-(4-bromophenyl)-2-phenylacetyl]-1,3-oxazolidin-2-one

C17H14BrNO3 — CID 139116596

IUPAC3-[(2R)-2-(4-bromophenyl)-2-phenylacetyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C(=O)[C@H](c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C17H14BrNO3/c18-14-8-6-13(7-9-14)15(12-4-2-1-3-5-12)16(20)19-10-11-22-17(19)21/h1-9,15H,10-11H2/t15-/m1/s1
InChIKeyWOOIEFDPUWTAAB-OAHLLOKOSA-N
MW360.21 g/mol
LogP3.56
Rot. Bonds3

About 3-[(2R)-2-(4-bromophenyl)-2-phenylacetyl]-1,3-oxazolidin-2-one

3-[(2R)-2-(4-bromophenyl)-2-phenylacetyl]-1,3-oxazolidin-2-one (PubChem CID 139116596) has the molecular formula C17H14BrNO3 and a molecular weight of 360.21 g/mol. Its IUPAC name is 3-[(2R)-2-(4-bromophenyl)-2-phenylacetyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(2R)-2-(4-bromophenyl)-2-phenylacetyl]-1,3-oxazolidin-2-one
PubChem CID139116596
Molecular FormulaC17H14BrNO3
Molecular Weight360.21 g/mol
Exact Mass359.02
IUPAC Name3-[(2R)-2-(4-bromophenyl)-2-phenylacetyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C(=O)[C@H](c1ccccc1)c1ccc(Br)cc1
InChIInChI=1S/C17H14BrNO3/c18-14-8-6-13(7-9-14)15(12-4-2-1-3-5-12)16(20)19-10-11-22-17(19)21/h1-9,15H,10-11H2/t15-/m1/s1
InChIKeyWOOIEFDPUWTAAB-OAHLLOKOSA-N
XLogP3.56
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.21
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[(2R)-2-(4-bromophenyl)-2-phenylacetyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(2R)-2-(4-bromophenyl)-2-phenylacetyl]-1,3-oxazolidin-2-one (CID 139116596) is 3-[(2R)-2-(4-bromophenyl)-2-phenylacetyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(2R)-2-(4-bromophenyl)-2-phenylacetyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(2R)-2-(4-bromophenyl)-2-phenylacetyl]-1,3-oxazolidin-2-one is O=C1OCCN1C(=O)[C@H](c1ccccc1)c1ccc(Br)cc1.
What is the InChIKey of 3-[(2R)-2-(4-bromophenyl)-2-phenylacetyl]-1,3-oxazolidin-2-one?
The InChIKey is WOOIEFDPUWTAAB-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H14BrNO3/c18-14-8-6-13(7-9-14)15(12-4-2-1-3-5-12)16(20)19-10-11-22-17(19)21/h1-9,15H,10-11H2/t15-/m1/s1.
What are the key properties of 3-[(2R)-2-(4-bromophenyl)-2-phenylacetyl]-1,3-oxazolidin-2-one?
3-[(2R)-2-(4-bromophenyl)-2-phenylacetyl]-1,3-oxazolidin-2-one has a molecular weight of 360.21 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2R)-2-(4-bromophenyl)-2-phenylacetyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 139116596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).