(4R,5R)-3-ethyl-5-(4-fluorophenyl)-4-methyl-1,3-oxazolidin-2-one

C12H14FNO2 — CID 71101035

IUPAC(4R,5R)-3-ethyl-5-(4-fluorophenyl)-4-methyl-1,3-oxazolidin-2-one
SMILESCCN1C(=O)O[C@H](c2ccc(F)cc2)[C@H]1C
InChIInChI=1S/C12H14FNO2/c1-3-14-8(2)11(16-12(14)15)9-4-6-10(13)7-5-9/h4-8,11H,3H2,1-2H3/t8-,11+/m1/s1
InChIKeyCEYIHKFHPZRXOC-KCJUWKMLSA-N
MW223.25 g/mol
LogP2.73
Rot. Bonds2

About (4R,5R)-3-ethyl-5-(4-fluorophenyl)-4-methyl-1,3-oxazolidin-2-one

(4R,5R)-3-ethyl-5-(4-fluorophenyl)-4-methyl-1,3-oxazolidin-2-one (PubChem CID 71101035) has the molecular formula C12H14FNO2 and a molecular weight of 223.25 g/mol. Its IUPAC name is (4R,5R)-3-ethyl-5-(4-fluorophenyl)-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-3-ethyl-5-(4-fluorophenyl)-4-methyl-1,3-oxazolidin-2-one
PubChem CID71101035
Molecular FormulaC12H14FNO2
Molecular Weight223.25 g/mol
Exact Mass223.10
IUPAC Name(4R,5R)-3-ethyl-5-(4-fluorophenyl)-4-methyl-1,3-oxazolidin-2-one
SMILESCCN1C(=O)O[C@H](c2ccc(F)cc2)[C@H]1C
InChIInChI=1S/C12H14FNO2/c1-3-14-8(2)11(16-12(14)15)9-4-6-10(13)7-5-9/h4-8,11H,3H2,1-2H3/t8-,11+/m1/s1
InChIKeyCEYIHKFHPZRXOC-KCJUWKMLSA-N
XLogP2.73
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.25
LogP ≤ 52.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-3-ethyl-5-(4-fluorophenyl)-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5R)-3-ethyl-5-(4-fluorophenyl)-4-methyl-1,3-oxazolidin-2-one (CID 71101035) is (4R,5R)-3-ethyl-5-(4-fluorophenyl)-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5R)-3-ethyl-5-(4-fluorophenyl)-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5R)-3-ethyl-5-(4-fluorophenyl)-4-methyl-1,3-oxazolidin-2-one is CCN1C(=O)O[C@H](c2ccc(F)cc2)[C@H]1C.
What is the InChIKey of (4R,5R)-3-ethyl-5-(4-fluorophenyl)-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is CEYIHKFHPZRXOC-KCJUWKMLSA-N. The full InChI is InChI=1S/C12H14FNO2/c1-3-14-8(2)11(16-12(14)15)9-4-6-10(13)7-5-9/h4-8,11H,3H2,1-2H3/t8-,11+/m1/s1.
What are the key properties of (4R,5R)-3-ethyl-5-(4-fluorophenyl)-4-methyl-1,3-oxazolidin-2-one?
(4R,5R)-3-ethyl-5-(4-fluorophenyl)-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 223.25 g/mol, XLogP of 2.73, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-3-ethyl-5-(4-fluorophenyl)-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 71101035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).