(4R,5S)-5-(3,5-difluorophenyl)-4-methyl-1,3-oxazolidin-2-one

C10H9F2NO2 — CID 58237579

IUPAC(4R,5S)-5-(3,5-difluorophenyl)-4-methyl-1,3-oxazolidin-2-one
SMILESC[C@H]1NC(=O)O[C@H]1c1cc(F)cc(F)c1
InChIInChI=1S/C10H9F2NO2/c1-5-9(15-10(14)13-5)6-2-7(11)4-8(12)3-6/h2-5,9H,1H3,(H,13,14)/t5-,9-/m1/s1
InChIKeyTUBJFVVHXTYFQD-MLUIRONXSA-N
MW213.18 g/mol
LogP2.13
Rot. Bonds1

About (4R,5S)-5-(3,5-difluorophenyl)-4-methyl-1,3-oxazolidin-2-one

(4R,5S)-5-(3,5-difluorophenyl)-4-methyl-1,3-oxazolidin-2-one (PubChem CID 58237579) has the molecular formula C10H9F2NO2 and a molecular weight of 213.18 g/mol. Its IUPAC name is (4R,5S)-5-(3,5-difluorophenyl)-4-methyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-5-(3,5-difluorophenyl)-4-methyl-1,3-oxazolidin-2-one
PubChem CID58237579
Molecular FormulaC10H9F2NO2
Molecular Weight213.18 g/mol
Exact Mass213.06
IUPAC Name(4R,5S)-5-(3,5-difluorophenyl)-4-methyl-1,3-oxazolidin-2-one
SMILESC[C@H]1NC(=O)O[C@H]1c1cc(F)cc(F)c1
InChIInChI=1S/C10H9F2NO2/c1-5-9(15-10(14)13-5)6-2-7(11)4-8(12)3-6/h2-5,9H,1H3,(H,13,14)/t5-,9-/m1/s1
InChIKeyTUBJFVVHXTYFQD-MLUIRONXSA-N
XLogP2.13
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.18
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-((Benzyloxy)methyl)oxazolidin-2-one
CID 2771944
5-Phenyl-1,3-oxazolidin-2-one
CID 202193
(5S)-5-phenyl-1,3-oxazolidin-2-one
CID 10855806
3,4-Dimethyl-5-Phenyl-1,3-Oxazolidin-2-One
CID 237192
Ephedroxane
CID 161171
Profexalone
CID 65786
(2S,3S)-1,2-Epoxy-3-(Cbz-amino)-4-phenylbutane
CID 9861019
4-Methyl-5-phenyl-2-oxazolidinone, (4S,5R)-
CID 853161
(4S,5R)-(-)-cis-4,5-Diphenyl-2-oxazolidinone
CID 9859564
(4R,5S)-(+)-cis-4,5-Diphenyl-2-oxazolidinone
CID 10868374
4-Methyl-5-phenyl-1,3-oxazolidin-2-one
CID 250174
(4S,5R)-4-benzyl-5-(3,3,4,4,5,5,6,6,7,7,8,8,8-tridecafluorooctyl)-1,3-oxazolidin-2-one
CID 11540938

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-(3,5-difluorophenyl)-4-methyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-5-(3,5-difluorophenyl)-4-methyl-1,3-oxazolidin-2-one (CID 58237579) is (4R,5S)-5-(3,5-difluorophenyl)-4-methyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-5-(3,5-difluorophenyl)-4-methyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-5-(3,5-difluorophenyl)-4-methyl-1,3-oxazolidin-2-one is C[C@H]1NC(=O)O[C@H]1c1cc(F)cc(F)c1.
What is the InChIKey of (4R,5S)-5-(3,5-difluorophenyl)-4-methyl-1,3-oxazolidin-2-one?
The InChIKey is TUBJFVVHXTYFQD-MLUIRONXSA-N. The full InChI is InChI=1S/C10H9F2NO2/c1-5-9(15-10(14)13-5)6-2-7(11)4-8(12)3-6/h2-5,9H,1H3,(H,13,14)/t5-,9-/m1/s1.
What are the key properties of (4R,5S)-5-(3,5-difluorophenyl)-4-methyl-1,3-oxazolidin-2-one?
(4R,5S)-5-(3,5-difluorophenyl)-4-methyl-1,3-oxazolidin-2-one has a molecular weight of 213.18 g/mol, XLogP of 2.13, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-(3,5-difluorophenyl)-4-methyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 58237579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).