2-[(2R,4R)-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-yl]ethanol

C15H23NO4S — CID 53384264

IUPAC2-[(2R,4R)-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-yl]ethanol
SMILESCc1ccc(S(=O)(=O)N2[C@@H](CCO)OC[C@H]2C(C)C)cc1
InChIInChI=1S/C15H23NO4S/c1-11(2)14-10-20-15(8-9-17)16(14)21(18,19)13-6-4-12(3)5-7-13/h4-7,11,14-15,17H,8-10H2,1-3H3/t14-,15+/m0/s1
InChIKeyKMQGFPXDTKLABL-LSDHHAIUSA-N
MW313.42 g/mol
LogP1.75
Rot. Bonds5

About 2-[(2R,4R)-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-yl]ethanol

2-[(2R,4R)-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-yl]ethanol (PubChem CID 53384264) has the molecular formula C15H23NO4S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-[(2R,4R)-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-yl]ethanol.

Molecular Properties

Compound Name2-[(2R,4R)-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-yl]ethanol
PubChem CID53384264
Molecular FormulaC15H23NO4S
Molecular Weight313.42 g/mol
Exact Mass313.13
IUPAC Name2-[(2R,4R)-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-yl]ethanol
SMILESCc1ccc(S(=O)(=O)N2[C@@H](CCO)OC[C@H]2C(C)C)cc1
InChIInChI=1S/C15H23NO4S/c1-11(2)14-10-20-15(8-9-17)16(14)21(18,19)13-6-4-12(3)5-7-13/h4-7,11,14-15,17H,8-10H2,1-3H3/t14-,15+/m0/s1
InChIKeyKMQGFPXDTKLABL-LSDHHAIUSA-N
XLogP1.75
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 51.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(2R,4R)-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-yl]ethanol?
The IUPAC name of 2-[(2R,4R)-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-yl]ethanol (CID 53384264) is 2-[(2R,4R)-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-yl]ethanol.
What is the SMILES notation for 2-[(2R,4R)-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-yl]ethanol?
The canonical SMILES for 2-[(2R,4R)-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-yl]ethanol is Cc1ccc(S(=O)(=O)N2[C@@H](CCO)OC[C@H]2C(C)C)cc1.
What is the InChIKey of 2-[(2R,4R)-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-yl]ethanol?
The InChIKey is KMQGFPXDTKLABL-LSDHHAIUSA-N. The full InChI is InChI=1S/C15H23NO4S/c1-11(2)14-10-20-15(8-9-17)16(14)21(18,19)13-6-4-12(3)5-7-13/h4-7,11,14-15,17H,8-10H2,1-3H3/t14-,15+/m0/s1.
What are the key properties of 2-[(2R,4R)-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-yl]ethanol?
2-[(2R,4R)-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-yl]ethanol has a molecular weight of 313.42 g/mol, XLogP of 1.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,4R)-3-(4-methylphenyl)sulfonyl-4-propan-2-yl-1,3-oxazolidin-2-yl]ethanol is sourced from PubChem (CID 53384264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).