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

C15H18FNO3 — CID 10826523

IUPAC(4S,5R)-3-[(2S)-2-fluoro-3-methylbutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H](F)C(=O)N1C(=O)O[C@H](c2ccccc2)[C@@H]1C
InChIInChI=1S/C15H18FNO3/c1-9(2)12(16)14(18)17-10(3)13(20-15(17)19)11-7-5-4-6-8-11/h4-10,12-13H,1-3H3/t10-,12-,13-/m0/s1
InChIKeyRMGUXJQCYYFAOG-DRZSPHRISA-N
MW279.31 g/mol
LogP3.09
Rot. Bonds3

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

(4S,5R)-3-[(2S)-2-fluoro-3-methylbutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 10826523) has the molecular formula C15H18FNO3 and a molecular weight of 279.31 g/mol. Its IUPAC name is (4S,5R)-3-[(2S)-2-fluoro-3-methylbutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-3-[(2S)-2-fluoro-3-methylbutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
PubChem CID10826523
Molecular FormulaC15H18FNO3
Molecular Weight279.31 g/mol
Exact Mass279.13
IUPAC Name(4S,5R)-3-[(2S)-2-fluoro-3-methylbutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H](F)C(=O)N1C(=O)O[C@H](c2ccccc2)[C@@H]1C
InChIInChI=1S/C15H18FNO3/c1-9(2)12(16)14(18)17-10(3)13(20-15(17)19)11-7-5-4-6-8-11/h4-10,12-13H,1-3H3/t10-,12-,13-/m0/s1
InChIKeyRMGUXJQCYYFAOG-DRZSPHRISA-N
XLogP3.09
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.31
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (4S,5R)-3-[(2S)-2-fluoro-3-methylbutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

Mlv 6976
CID 65882
3-ME-5-PH Oxazolidine-2,4-dione
CID 571063
3,4-Dimethyl-5-Phenyl-1,3-Oxazolidin-2-One
CID 237192
(S)-1-Benzyl 2-methyl pyrrolidine-1,2-dicarboxylate
CID 688168
4-Methyl-5-phenyl-2-oxazolidinone, (4S,5R)-
CID 853161
(4S)-4-Benzyl-3-propanoyl-1,3-oxazolidin-2-one
CID 2733696
(4R,5S)-3-[3-(Azepan-1-yl)propyl]-4-(2-methylpropyl)-5-phenyl-1,3-oxazolidin-2-one--hydrogen chloride (1/1)
CID 13713368
4-Methyl-5-phenyl-1,3-oxazolidin-2-one
CID 250174
Ephedroxane
CID 161171
Mlv 3076
CID 128596
2-Oxazolidinone, 3-(3-(hexahydro-1H-azepin-1-yl)propyl)-4-(2-methylpropyl)-5-phenyl-, (4R-cis)-
CID 3064674
2-Oxazolidinone, 3-(3-(hexahydro-1H-azepin-1-yl)propyl)-4-(2-methylpropyl)-5-phenyl-, (4S-trans)-
CID 3064675

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-3-[(2S)-2-fluoro-3-methylbutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-3-[(2S)-2-fluoro-3-methylbutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one (CID 10826523) is (4S,5R)-3-[(2S)-2-fluoro-3-methylbutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-3-[(2S)-2-fluoro-3-methylbutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-3-[(2S)-2-fluoro-3-methylbutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one is CC(C)[C@H](F)C(=O)N1C(=O)O[C@H](c2ccccc2)[C@@H]1C.
What is the InChIKey of (4S,5R)-3-[(2S)-2-fluoro-3-methylbutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is RMGUXJQCYYFAOG-DRZSPHRISA-N. The full InChI is InChI=1S/C15H18FNO3/c1-9(2)12(16)14(18)17-10(3)13(20-15(17)19)11-7-5-4-6-8-11/h4-10,12-13H,1-3H3/t10-,12-,13-/m0/s1.
What are the key properties of (4S,5R)-3-[(2S)-2-fluoro-3-methylbutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
(4S,5R)-3-[(2S)-2-fluoro-3-methylbutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 279.31 g/mol, XLogP of 3.09, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-3-[(2S)-2-fluoro-3-methylbutanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10826523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).