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

C16H20FNO3 — CID 135055248

IUPAC(4S,5R)-3-[(2S)-2-fluorohexanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESCCCC[C@H](F)C(=O)N1C(=O)O[C@H](c2ccccc2)[C@@H]1C
InChIInChI=1S/C16H20FNO3/c1-3-4-10-13(17)15(19)18-11(2)14(21-16(18)20)12-8-6-5-7-9-12/h5-9,11,13-14H,3-4,10H2,1-2H3/t11-,13-,14-/m0/s1
InChIKeyIKODQMYNCKQRJA-UBHSHLNASA-N
MW293.34 g/mol
LogP3.62
Rot. Bonds5

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

(4S,5R)-3-[(2S)-2-fluorohexanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one (PubChem CID 135055248) has the molecular formula C16H20FNO3 and a molecular weight of 293.34 g/mol. Its IUPAC name is (4S,5R)-3-[(2S)-2-fluorohexanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-3-[(2S)-2-fluorohexanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
PubChem CID135055248
Molecular FormulaC16H20FNO3
Molecular Weight293.34 g/mol
Exact Mass293.14
IUPAC Name(4S,5R)-3-[(2S)-2-fluorohexanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
SMILESCCCC[C@H](F)C(=O)N1C(=O)O[C@H](c2ccccc2)[C@@H]1C
InChIInChI=1S/C16H20FNO3/c1-3-4-10-13(17)15(19)18-11(2)14(21-16(18)20)12-8-6-5-7-9-12/h5-9,11,13-14H,3-4,10H2,1-2H3/t11-,13-,14-/m0/s1
InChIKeyIKODQMYNCKQRJA-UBHSHLNASA-N
XLogP3.62
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

Mlv 6976
CID 65882
US11141410, Example 67
CID 129273416
3-ME-5-PH Oxazolidine-2,4-dione
CID 571063
3,4-Dimethyl-5-Phenyl-1,3-Oxazolidin-2-One
CID 237192
2-Benzyl 1-tert-butyl (2S)-5-oxopyrrolidine-1,2-dicarboxylate
CID 8027482
(S)-1-Benzyl 2-methyl pyrrolidine-1,2-dicarboxylate
CID 688168
(3R,6aS)-3-Allyl-2-oxo-hexahydro-furo[3,2-b]pyrrole-4-carboxylic acid benzyl ester
CID 9972080
(4R,5S)-3-[3-(Azepan-1-yl)propyl]-4-(2-methylpropyl)-5-phenyl-1,3-oxazolidin-2-one--hydrogen chloride (1/1)
CID 13713368
(3S,6aS)-3-Allyl-2-oxo-hexahydro-furo[3,2-b]pyrrole-4-carboxylic acid benzyl ester
CID 44351104
(R)-2-(1-(benzyloxycarbonyl)-N-(2-fluoroacetyl)pyrrolidine-2-carboxamido)acetic acid
CID 44434247
Benzyl 1-acetyl-2-(4-fluorobenzyl)pyrrolidine-2-carboxylate
CID 46884646
(4S,5R)-5-[3,5-bis(trifluoromethyl)phenyl]-4-methyl-3-(4-naphthalen-1-ylbutanoyl)-1,3-oxazolidin-2-one
CID 137658692

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-3-[(2S)-2-fluorohexanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-3-[(2S)-2-fluorohexanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one (CID 135055248) is (4S,5R)-3-[(2S)-2-fluorohexanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-3-[(2S)-2-fluorohexanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-3-[(2S)-2-fluorohexanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one is CCCC[C@H](F)C(=O)N1C(=O)O[C@H](c2ccccc2)[C@@H]1C.
What is the InChIKey of (4S,5R)-3-[(2S)-2-fluorohexanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
The InChIKey is IKODQMYNCKQRJA-UBHSHLNASA-N. The full InChI is InChI=1S/C16H20FNO3/c1-3-4-10-13(17)15(19)18-11(2)14(21-16(18)20)12-8-6-5-7-9-12/h5-9,11,13-14H,3-4,10H2,1-2H3/t11-,13-,14-/m0/s1.
What are the key properties of (4S,5R)-3-[(2S)-2-fluorohexanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one?
(4S,5R)-3-[(2S)-2-fluorohexanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one has a molecular weight of 293.34 g/mol, XLogP of 3.62, 5 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-fluorohexanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 135055248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).