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

C24H18ClF2NO3 — CID 118163652

IUPAC(4S)-3-[(2R)-3-(4-chloro-3-fluorophenyl)-2-(3-fluorophenyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](c2ccccc2)N1C(=O)[C@H](Cc1ccc(Cl)c(F)c1)c1cccc(F)c1
InChIInChI=1S/C24H18ClF2NO3/c25-20-10-9-15(12-21(20)27)11-19(17-7-4-8-18(26)13-17)23(29)28-22(14-31-24(28)30)16-5-2-1-3-6-16/h1-10,12-13,19,22H,11,14H2/t19-,22-/m1/s1
InChIKeyQMCNYMWNZQXZBQ-DENIHFKCSA-N
MW441.86 g/mol
LogP5.66
Rot. Bonds5

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

(4S)-3-[(2R)-3-(4-chloro-3-fluorophenyl)-2-(3-fluorophenyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 118163652) has the molecular formula C24H18ClF2NO3 and a molecular weight of 441.86 g/mol. Its IUPAC name is (4S)-3-[(2R)-3-(4-chloro-3-fluorophenyl)-2-(3-fluorophenyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(2R)-3-(4-chloro-3-fluorophenyl)-2-(3-fluorophenyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID118163652
Molecular FormulaC24H18ClF2NO3
Molecular Weight441.86 g/mol
Exact Mass441.09
IUPAC Name(4S)-3-[(2R)-3-(4-chloro-3-fluorophenyl)-2-(3-fluorophenyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OC[C@H](c2ccccc2)N1C(=O)[C@H](Cc1ccc(Cl)c(F)c1)c1cccc(F)c1
InChIInChI=1S/C24H18ClF2NO3/c25-20-10-9-15(12-21(20)27)11-19(17-7-4-8-18(26)13-17)23(29)28-22(14-31-24(28)30)16-5-2-1-3-6-16/h1-10,12-13,19,22H,11,14H2/t19-,22-/m1/s1
InChIKeyQMCNYMWNZQXZBQ-DENIHFKCSA-N
XLogP5.66
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500441.86
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(2R)-3-(4-chloro-3-fluorophenyl)-2-(3-fluorophenyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(2R)-3-(4-chloro-3-fluorophenyl)-2-(3-fluorophenyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one (CID 118163652) is (4S)-3-[(2R)-3-(4-chloro-3-fluorophenyl)-2-(3-fluorophenyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(2R)-3-(4-chloro-3-fluorophenyl)-2-(3-fluorophenyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(2R)-3-(4-chloro-3-fluorophenyl)-2-(3-fluorophenyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one is O=C1OC[C@H](c2ccccc2)N1C(=O)[C@H](Cc1ccc(Cl)c(F)c1)c1cccc(F)c1.
What is the InChIKey of (4S)-3-[(2R)-3-(4-chloro-3-fluorophenyl)-2-(3-fluorophenyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is QMCNYMWNZQXZBQ-DENIHFKCSA-N. The full InChI is InChI=1S/C24H18ClF2NO3/c25-20-10-9-15(12-21(20)27)11-19(17-7-4-8-18(26)13-17)23(29)28-22(14-31-24(28)30)16-5-2-1-3-6-16/h1-10,12-13,19,22H,11,14H2/t19-,22-/m1/s1.
What are the key properties of (4S)-3-[(2R)-3-(4-chloro-3-fluorophenyl)-2-(3-fluorophenyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[(2R)-3-(4-chloro-3-fluorophenyl)-2-(3-fluorophenyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 441.86 g/mol, XLogP of 5.66, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(2R)-3-(4-chloro-3-fluorophenyl)-2-(3-fluorophenyl)propanoyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 118163652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).