(4R,5S)-3-benzyl-5-(2-chlorophenyl)-4-hydroxy-1,3-oxazolidin-2-one

C16H14ClNO3 — CID 68641056

IUPAC(4R,5S)-3-benzyl-5-(2-chlorophenyl)-4-hydroxy-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](c2ccccc2Cl)[C@@H](O)N1Cc1ccccc1
InChIInChI=1S/C16H14ClNO3/c17-13-9-5-4-8-12(13)14-15(19)18(16(20)21-14)10-11-6-2-1-3-7-11/h1-9,14-15,19H,10H2/t14-,15+/m0/s1
InChIKeyCETINNKSCLWOMA-LSDHHAIUSA-N
MW303.75 g/mol
LogP3.35
Rot. Bonds3

About (4R,5S)-3-benzyl-5-(2-chlorophenyl)-4-hydroxy-1,3-oxazolidin-2-one

(4R,5S)-3-benzyl-5-(2-chlorophenyl)-4-hydroxy-1,3-oxazolidin-2-one (PubChem CID 68641056) has the molecular formula C16H14ClNO3 and a molecular weight of 303.75 g/mol. Its IUPAC name is (4R,5S)-3-benzyl-5-(2-chlorophenyl)-4-hydroxy-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-3-benzyl-5-(2-chlorophenyl)-4-hydroxy-1,3-oxazolidin-2-one
PubChem CID68641056
Molecular FormulaC16H14ClNO3
Molecular Weight303.75 g/mol
Exact Mass303.07
IUPAC Name(4R,5S)-3-benzyl-5-(2-chlorophenyl)-4-hydroxy-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](c2ccccc2Cl)[C@@H](O)N1Cc1ccccc1
InChIInChI=1S/C16H14ClNO3/c17-13-9-5-4-8-12(13)14-15(19)18(16(20)21-14)10-11-6-2-1-3-7-11/h1-9,14-15,19H,10H2/t14-,15+/m0/s1
InChIKeyCETINNKSCLWOMA-LSDHHAIUSA-N
XLogP3.35
TPSA49.77 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.75
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4R,5S)-3-benzyl-5-(2-chlorophenyl)-4-hydroxy-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-3-benzyl-5-(2-chlorophenyl)-4-hydroxy-1,3-oxazolidin-2-one (CID 68641056) is (4R,5S)-3-benzyl-5-(2-chlorophenyl)-4-hydroxy-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-3-benzyl-5-(2-chlorophenyl)-4-hydroxy-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-3-benzyl-5-(2-chlorophenyl)-4-hydroxy-1,3-oxazolidin-2-one is O=C1O[C@@H](c2ccccc2Cl)[C@@H](O)N1Cc1ccccc1.
What is the InChIKey of (4R,5S)-3-benzyl-5-(2-chlorophenyl)-4-hydroxy-1,3-oxazolidin-2-one?
The InChIKey is CETINNKSCLWOMA-LSDHHAIUSA-N. The full InChI is InChI=1S/C16H14ClNO3/c17-13-9-5-4-8-12(13)14-15(19)18(16(20)21-14)10-11-6-2-1-3-7-11/h1-9,14-15,19H,10H2/t14-,15+/m0/s1.
What are the key properties of (4R,5S)-3-benzyl-5-(2-chlorophenyl)-4-hydroxy-1,3-oxazolidin-2-one?
(4R,5S)-3-benzyl-5-(2-chlorophenyl)-4-hydroxy-1,3-oxazolidin-2-one has a molecular weight of 303.75 g/mol, XLogP of 3.35, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-3-benzyl-5-(2-chlorophenyl)-4-hydroxy-1,3-oxazolidin-2-one is sourced from PubChem (CID 68641056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).