(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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Related Compounds

(3R,4S)-3-amino-1-benzyl-4-(2-chlorophenyl)azetidin-2-one
CID 124504268
(4S,5S)-3-benzyl-4-methyl-5-phenyl-1,3-oxazolidin-2-one
CID 11086728
4-benzyl-5-hydroxy-3-methyl-1,3,4-oxadiazolidin-2-one
CID 86643537
(4R,5R)-3-benzyl-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one
CID 146267205
(3aR,7aS)-3-benzyl-3a,4,7,7a-tetrahydro-1,3-benzoxazol-2-one
CID 15530655
(1R,2R,6R,7R,8R)-5-benzyl-7-hydroxy-3,10,11-trioxa-5-azatricyclo[6.2.1.02,6]undecan-4-one
CID 170851347
(6S)-5-acetyl-3-benzyl-6-(2-chlorophenyl)-4-methyl-1,6-dihydropyrimidin-2-one
CID 6990709
(2R)-1-benzyl-2-hydroxy-2H-pyrrol-5-one
CID 15504440
2-benzyl-3-(4-chlorophenyl)-4-hydroxy-3,4-dihydroisoquinolin-1-one
CID 134869149
(3aR,7R)-3-benzyl-7-iodo-3a,4,5,6,7,7a-hexahydro-1,3-benzoxazol-2-one
CID 102179985
3-benzyl-4,6,7,7a-tetrahydro-3aH-1,3-benzoxazole-2,5-dione
CID 89439989
(1S,3R,5R,6R)-7-benzyl-3,5-dihydroxy-3-methyl-2-oxa-7-azabicyclo[4.2.0]octan-8-one
CID 102040133

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).