1-(4-fluorophenyl)-2-[(2S,4S)-4-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]ethanone

C19H20FNO4S — CID 53382888

IUPAC1-(4-fluorophenyl)-2-[(2S,4S)-4-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]ethanone
SMILESCc1ccc(S(=O)(=O)N2[C@H](CC(=O)c3ccc(F)cc3)OC[C@@H]2C)cc1
InChIInChI=1S/C19H20FNO4S/c1-13-3-9-17(10-4-13)26(23,24)21-14(2)12-25-19(21)11-18(22)15-5-7-16(20)8-6-15/h3-10,14,19H,11-12H2,1-2H3/t14-,19-/m0/s1
InChIKeyJTYXOXAFFYMSLW-LIRRHRJNSA-N
MW377.44 g/mol
LogP3.14
Rot. Bonds5

About 1-(4-fluorophenyl)-2-[(2S,4S)-4-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]ethanone

1-(4-fluorophenyl)-2-[(2S,4S)-4-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]ethanone (PubChem CID 53382888) has the molecular formula C19H20FNO4S and a molecular weight of 377.44 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-2-[(2S,4S)-4-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]ethanone.

Molecular Properties

Compound Name1-(4-fluorophenyl)-2-[(2S,4S)-4-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]ethanone
PubChem CID53382888
Molecular FormulaC19H20FNO4S
Molecular Weight377.44 g/mol
Exact Mass377.11
IUPAC Name1-(4-fluorophenyl)-2-[(2S,4S)-4-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]ethanone
SMILESCc1ccc(S(=O)(=O)N2[C@H](CC(=O)c3ccc(F)cc3)OC[C@@H]2C)cc1
InChIInChI=1S/C19H20FNO4S/c1-13-3-9-17(10-4-13)26(23,24)21-14(2)12-25-19(21)11-18(22)15-5-7-16(20)8-6-15/h3-10,14,19H,11-12H2,1-2H3/t14-,19-/m0/s1
InChIKeyJTYXOXAFFYMSLW-LIRRHRJNSA-N
XLogP3.14
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-2-[(2S,4S)-4-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]ethanone?
The IUPAC name of 1-(4-fluorophenyl)-2-[(2S,4S)-4-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]ethanone (CID 53382888) is 1-(4-fluorophenyl)-2-[(2S,4S)-4-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]ethanone.
What is the SMILES notation for 1-(4-fluorophenyl)-2-[(2S,4S)-4-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]ethanone?
The canonical SMILES for 1-(4-fluorophenyl)-2-[(2S,4S)-4-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]ethanone is Cc1ccc(S(=O)(=O)N2[C@H](CC(=O)c3ccc(F)cc3)OC[C@@H]2C)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-2-[(2S,4S)-4-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]ethanone?
The InChIKey is JTYXOXAFFYMSLW-LIRRHRJNSA-N. The full InChI is InChI=1S/C19H20FNO4S/c1-13-3-9-17(10-4-13)26(23,24)21-14(2)12-25-19(21)11-18(22)15-5-7-16(20)8-6-15/h3-10,14,19H,11-12H2,1-2H3/t14-,19-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-2-[(2S,4S)-4-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]ethanone?
1-(4-fluorophenyl)-2-[(2S,4S)-4-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]ethanone has a molecular weight of 377.44 g/mol, XLogP of 3.14, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-2-[(2S,4S)-4-methyl-3-(4-methylphenyl)sulfonyl-1,3-oxazolidin-2-yl]ethanone is sourced from PubChem (CID 53382888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).