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

C18H15BrFNO3 — CID 59315506

IUPAC(4R)-4-benzyl-3-[(2R)-2-(4-bromophenyl)-2-fluoroacetyl]-1,3-oxazolidin-2-one
SMILESO=C1OC[C@@H](Cc2ccccc2)N1C(=O)[C@H](F)c1ccc(Br)cc1
InChIInChI=1S/C18H15BrFNO3/c19-14-8-6-13(7-9-14)16(20)17(22)21-15(11-24-18(21)23)10-12-4-2-1-3-5-12/h1-9,15-16H,10-11H2/t15-,16-/m1/s1
InChIKeyAINLIYBMCSURRO-HZPDHXFCSA-N
MW392.22 g/mol
LogP4.05
Rot. Bonds4

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

(4R)-4-benzyl-3-[(2R)-2-(4-bromophenyl)-2-fluoroacetyl]-1,3-oxazolidin-2-one (PubChem CID 59315506) has the molecular formula C18H15BrFNO3 and a molecular weight of 392.22 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[(2R)-2-(4-bromophenyl)-2-fluoroacetyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[(2R)-2-(4-bromophenyl)-2-fluoroacetyl]-1,3-oxazolidin-2-one
PubChem CID59315506
Molecular FormulaC18H15BrFNO3
Molecular Weight392.22 g/mol
Exact Mass391.02
IUPAC Name(4R)-4-benzyl-3-[(2R)-2-(4-bromophenyl)-2-fluoroacetyl]-1,3-oxazolidin-2-one
SMILESO=C1OC[C@@H](Cc2ccccc2)N1C(=O)[C@H](F)c1ccc(Br)cc1
InChIInChI=1S/C18H15BrFNO3/c19-14-8-6-13(7-9-14)16(20)17(22)21-15(11-24-18(21)23)10-12-4-2-1-3-5-12/h1-9,15-16H,10-11H2/t15-,16-/m1/s1
InChIKeyAINLIYBMCSURRO-HZPDHXFCSA-N
XLogP4.05
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.22
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[(2R)-2-(4-bromophenyl)-2-fluoroacetyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[(2R)-2-(4-bromophenyl)-2-fluoroacetyl]-1,3-oxazolidin-2-one (CID 59315506) is (4R)-4-benzyl-3-[(2R)-2-(4-bromophenyl)-2-fluoroacetyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[(2R)-2-(4-bromophenyl)-2-fluoroacetyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[(2R)-2-(4-bromophenyl)-2-fluoroacetyl]-1,3-oxazolidin-2-one is O=C1OC[C@@H](Cc2ccccc2)N1C(=O)[C@H](F)c1ccc(Br)cc1.
What is the InChIKey of (4R)-4-benzyl-3-[(2R)-2-(4-bromophenyl)-2-fluoroacetyl]-1,3-oxazolidin-2-one?
The InChIKey is AINLIYBMCSURRO-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H15BrFNO3/c19-14-8-6-13(7-9-14)16(20)17(22)21-15(11-24-18(21)23)10-12-4-2-1-3-5-12/h1-9,15-16H,10-11H2/t15-,16-/m1/s1.
What are the key properties of (4R)-4-benzyl-3-[(2R)-2-(4-bromophenyl)-2-fluoroacetyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[(2R)-2-(4-bromophenyl)-2-fluoroacetyl]-1,3-oxazolidin-2-one has a molecular weight of 392.22 g/mol, XLogP of 4.05, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[(2R)-2-(4-bromophenyl)-2-fluoroacetyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 59315506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).