(4S,5R)-3-[(2-bromo-5-fluorophenyl)methyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one

C17H15BrFNO2 — CID 58120056

IUPAC(4S,5R)-3-[(2-bromo-5-fluorophenyl)methyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESC[C@H]1[C@@H](c2ccccc2)OC(=O)N1Cc1cc(F)ccc1Br
InChIInChI=1S/C17H15BrFNO2/c1-11-16(12-5-3-2-4-6-12)22-17(21)20(11)10-13-9-14(19)7-8-15(13)18/h2-9,11,16H,10H2,1H3/t11-,16-/m0/s1
InChIKeyTUOOIHSNVGWYJP-ZBEGNZNMSA-N
MW364.21 g/mol
LogP4.67
Rot. Bonds3

About (4S,5R)-3-[(2-bromo-5-fluorophenyl)methyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one

(4S,5R)-3-[(2-bromo-5-fluorophenyl)methyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 58120056) has the molecular formula C17H15BrFNO2 and a molecular weight of 364.21 g/mol. Its IUPAC name is (4S,5R)-3-[(2-bromo-5-fluorophenyl)methyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-3-[(2-bromo-5-fluorophenyl)methyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
PubChem CID58120056
Molecular FormulaC17H15BrFNO2
Molecular Weight364.21 g/mol
Exact Mass363.03
IUPAC Name(4S,5R)-3-[(2-bromo-5-fluorophenyl)methyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESC[C@H]1[C@@H](c2ccccc2)OC(=O)N1Cc1cc(F)ccc1Br
InChIInChI=1S/C17H15BrFNO2/c1-11-16(12-5-3-2-4-6-12)22-17(21)20(11)10-13-9-14(19)7-8-15(13)18/h2-9,11,16H,10H2,1H3/t11-,16-/m0/s1
InChIKeyTUOOIHSNVGWYJP-ZBEGNZNMSA-N
XLogP4.67
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.21
LogP ≤ 54.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-3-[(2-bromo-5-fluorophenyl)methyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-3-[(2-bromo-5-fluorophenyl)methyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one (CID 58120056) is (4S,5R)-3-[(2-bromo-5-fluorophenyl)methyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-3-[(2-bromo-5-fluorophenyl)methyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-3-[(2-bromo-5-fluorophenyl)methyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one is C[C@H]1[C@@H](c2ccccc2)OC(=O)N1Cc1cc(F)ccc1Br.
What is the InChIKey of (4S,5R)-3-[(2-bromo-5-fluorophenyl)methyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is TUOOIHSNVGWYJP-ZBEGNZNMSA-N. The full InChI is InChI=1S/C17H15BrFNO2/c1-11-16(12-5-3-2-4-6-12)22-17(21)20(11)10-13-9-14(19)7-8-15(13)18/h2-9,11,16H,10H2,1H3/t11-,16-/m0/s1.
What are the key properties of (4S,5R)-3-[(2-bromo-5-fluorophenyl)methyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
(4S,5R)-3-[(2-bromo-5-fluorophenyl)methyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 364.21 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-3-[(2-bromo-5-fluorophenyl)methyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 58120056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).