(4S)-3-[(2S,3R)-2-(4-fluorophenyl)oxolane-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one

C20H18FNO4 — CID 12986915

IUPAC(4S)-3-[(2S,3R)-2-(4-fluorophenyl)oxolane-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](c2ccccc2)N1C(=O)[C@@H]1CCO[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C20H18FNO4/c21-15-8-6-14(7-9-15)18-16(10-11-25-18)19(23)22-17(12-26-20(22)24)13-4-2-1-3-5-13/h1-9,16-18H,10-12H2/t16-,17-,18-/m1/s1
InChIKeyKPMQIPILSREWRV-KZNAEPCWSA-N
MW355.37 g/mol
LogP3.62
Rot. Bonds3

About (4S)-3-[(2S,3R)-2-(4-fluorophenyl)oxolane-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[(2S,3R)-2-(4-fluorophenyl)oxolane-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 12986915) has the molecular formula C20H18FNO4 and a molecular weight of 355.37 g/mol. Its IUPAC name is (4S)-3-[(2S,3R)-2-(4-fluorophenyl)oxolane-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(2S,3R)-2-(4-fluorophenyl)oxolane-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID12986915
Molecular FormulaC20H18FNO4
Molecular Weight355.37 g/mol
Exact Mass355.12
IUPAC Name(4S)-3-[(2S,3R)-2-(4-fluorophenyl)oxolane-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](c2ccccc2)N1C(=O)[C@@H]1CCO[C@@H]1c1ccc(F)cc1
InChIInChI=1S/C20H18FNO4/c21-15-8-6-14(7-9-15)18-16(10-11-25-18)19(23)22-17(12-26-20(22)24)13-4-2-1-3-5-13/h1-9,16-18H,10-12H2/t16-,17-,18-/m1/s1
InChIKeyKPMQIPILSREWRV-KZNAEPCWSA-N
XLogP3.62
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.37
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-3-[(2S,3R)-2-(4-fluorophenyl)oxolane-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(3S-cis)-(+)-Tetrahydro-3,7a-diphenylpyrrolo[2,1-b]oxazol-5(6H)-one
CID 854037
[3S-[3alpha(S*),5alpha]]-3-[[5-(2,4-Difluorophenyl)tetrahydro-5-(iodomethyl)-3-furanyl]carbonyl]-4-(phenylmethyl)-2-oxazolidinone
CID 11114110
(4S,5R)-3-[(2S)-2-fluoro-2-phenylacetyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 11077869
(4R,5S)-3-[(E,2R)-2-fluoro-5-phenylmethoxypent-3-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 11079493
(4S)-3-[(2R)-4-(2,4-difluorophenyl)-2-(phenylmethoxymethyl)pent-4-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 15238249
(4R,5S)-3-[(2R)-2-fluoro-2-phenylacetyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 15402825
(4R)-4-benzyl-3-[(2S)-2-[(2-fluoro-4-methylphenyl)methyl]-3-phenylmethoxypropanoyl]-1,3-oxazolidin-2-one
CID 21580032
(4R,5S)-3-[(E,2S)-2-fluoro-5-phenylmethoxypent-3-enoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 134905357
3-[(2R)-2-(4-fluorophenyl)-2-phenylmethoxyacetyl]-1,3-oxazolidin-2-one
CID 134945067
(4S,5R)-3-[(2S)-2-fluoro-3-phenylpropanoyl]-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 135056188
(4R)-4-benzyl-3-[(2S,3R)-3-(4-fluorophenyl)-3-hydroxy-2-methylpropanoyl]-1,3-oxazolidin-2-one
CID 176430323
(4R)-1-[(1S)-1-phenylethyl]-4-phenylmethoxypyrrolidin-2-one
CID 134918156

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(2S,3R)-2-(4-fluorophenyl)oxolane-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(2S,3R)-2-(4-fluorophenyl)oxolane-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one (CID 12986915) is (4S)-3-[(2S,3R)-2-(4-fluorophenyl)oxolane-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(2S,3R)-2-(4-fluorophenyl)oxolane-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(2S,3R)-2-(4-fluorophenyl)oxolane-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one is O=C1OC[C@H](c2ccccc2)N1C(=O)[C@@H]1CCO[C@@H]1c1ccc(F)cc1.
What is the InChIKey of (4S)-3-[(2S,3R)-2-(4-fluorophenyl)oxolane-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is KPMQIPILSREWRV-KZNAEPCWSA-N. The full InChI is InChI=1S/C20H18FNO4/c21-15-8-6-14(7-9-15)18-16(10-11-25-18)19(23)22-17(12-26-20(22)24)13-4-2-1-3-5-13/h1-9,16-18H,10-12H2/t16-,17-,18-/m1/s1.
What are the key properties of (4S)-3-[(2S,3R)-2-(4-fluorophenyl)oxolane-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[(2S,3R)-2-(4-fluorophenyl)oxolane-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 355.37 g/mol, XLogP of 3.62, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(2S,3R)-2-(4-fluorophenyl)oxolane-3-carbonyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 12986915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).