(4S,5R)-5-(4-bromophenyl)-4-(fluoromethyl)-1,3-oxazolidin-2-one

C10H9BrFNO2 — CID 58631137

IUPAC(4S,5R)-5-(4-bromophenyl)-4-(fluoromethyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](CF)[C@@H](c2ccc(Br)cc2)O1
InChIInChI=1S/C10H9BrFNO2/c11-7-3-1-6(2-4-7)9-8(5-12)13-10(14)15-9/h1-4,8-9H,5H2,(H,13,14)/t8-,9-/m1/s1
InChIKeyBLUMYZLWCFIVPM-RKDXNWHRSA-N
MW274.09 g/mol
LogP2.57
Rot. Bonds2

About (4S,5R)-5-(4-bromophenyl)-4-(fluoromethyl)-1,3-oxazolidin-2-one

(4S,5R)-5-(4-bromophenyl)-4-(fluoromethyl)-1,3-oxazolidin-2-one (PubChem CID 58631137) has the molecular formula C10H9BrFNO2 and a molecular weight of 274.09 g/mol. Its IUPAC name is (4S,5R)-5-(4-bromophenyl)-4-(fluoromethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-5-(4-bromophenyl)-4-(fluoromethyl)-1,3-oxazolidin-2-one
PubChem CID58631137
Molecular FormulaC10H9BrFNO2
Molecular Weight274.09 g/mol
Exact Mass272.98
IUPAC Name(4S,5R)-5-(4-bromophenyl)-4-(fluoromethyl)-1,3-oxazolidin-2-one
SMILESO=C1N[C@H](CF)[C@@H](c2ccc(Br)cc2)O1
InChIInChI=1S/C10H9BrFNO2/c11-7-3-1-6(2-4-7)9-8(5-12)13-10(14)15-9/h1-4,8-9H,5H2,(H,13,14)/t8-,9-/m1/s1
InChIKeyBLUMYZLWCFIVPM-RKDXNWHRSA-N
XLogP2.57
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.09
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-(4-bromophenyl)-4-(fluoromethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-5-(4-bromophenyl)-4-(fluoromethyl)-1,3-oxazolidin-2-one (CID 58631137) is (4S,5R)-5-(4-bromophenyl)-4-(fluoromethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-5-(4-bromophenyl)-4-(fluoromethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-5-(4-bromophenyl)-4-(fluoromethyl)-1,3-oxazolidin-2-one is O=C1N[C@H](CF)[C@@H](c2ccc(Br)cc2)O1.
What is the InChIKey of (4S,5R)-5-(4-bromophenyl)-4-(fluoromethyl)-1,3-oxazolidin-2-one?
The InChIKey is BLUMYZLWCFIVPM-RKDXNWHRSA-N. The full InChI is InChI=1S/C10H9BrFNO2/c11-7-3-1-6(2-4-7)9-8(5-12)13-10(14)15-9/h1-4,8-9H,5H2,(H,13,14)/t8-,9-/m1/s1.
What are the key properties of (4S,5R)-5-(4-bromophenyl)-4-(fluoromethyl)-1,3-oxazolidin-2-one?
(4S,5R)-5-(4-bromophenyl)-4-(fluoromethyl)-1,3-oxazolidin-2-one has a molecular weight of 274.09 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-(4-bromophenyl)-4-(fluoromethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 58631137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).