(4S,5R)-5-benzoyl-4-(4-methylphenyl)-1,3-oxazolidin-2-one

C17H15NO3 — CID 57333457

IUPAC(4S,5R)-5-benzoyl-4-(4-methylphenyl)-1,3-oxazolidin-2-one
SMILESCc1ccc([C@@H]2NC(=O)O[C@H]2C(=O)c2ccccc2)cc1
InChIInChI=1S/C17H15NO3/c1-11-7-9-12(10-8-11)14-16(21-17(20)18-14)15(19)13-5-3-2-4-6-13/h2-10,14,16H,1H3,(H,18,20)/t14-,16+/m0/s1
InChIKeyRICMNIFXYJSQLP-GOEBONIOSA-N
MW281.31 g/mol
LogP3.03
Rot. Bonds3

About (4S,5R)-5-benzoyl-4-(4-methylphenyl)-1,3-oxazolidin-2-one

(4S,5R)-5-benzoyl-4-(4-methylphenyl)-1,3-oxazolidin-2-one (PubChem CID 57333457) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is (4S,5R)-5-benzoyl-4-(4-methylphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-5-benzoyl-4-(4-methylphenyl)-1,3-oxazolidin-2-one
PubChem CID57333457
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name(4S,5R)-5-benzoyl-4-(4-methylphenyl)-1,3-oxazolidin-2-one
SMILESCc1ccc([C@@H]2NC(=O)O[C@H]2C(=O)c2ccccc2)cc1
InChIInChI=1S/C17H15NO3/c1-11-7-9-12(10-8-11)14-16(21-17(20)18-14)15(19)13-5-3-2-4-6-13/h2-10,14,16H,1H3,(H,18,20)/t14-,16+/m0/s1
InChIKeyRICMNIFXYJSQLP-GOEBONIOSA-N
XLogP3.03
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-benzoyl-4-(4-methylphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-5-benzoyl-4-(4-methylphenyl)-1,3-oxazolidin-2-one (CID 57333457) is (4S,5R)-5-benzoyl-4-(4-methylphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-5-benzoyl-4-(4-methylphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-5-benzoyl-4-(4-methylphenyl)-1,3-oxazolidin-2-one is Cc1ccc([C@@H]2NC(=O)O[C@H]2C(=O)c2ccccc2)cc1.
What is the InChIKey of (4S,5R)-5-benzoyl-4-(4-methylphenyl)-1,3-oxazolidin-2-one?
The InChIKey is RICMNIFXYJSQLP-GOEBONIOSA-N. The full InChI is InChI=1S/C17H15NO3/c1-11-7-9-12(10-8-11)14-16(21-17(20)18-14)15(19)13-5-3-2-4-6-13/h2-10,14,16H,1H3,(H,18,20)/t14-,16+/m0/s1.
What are the key properties of (4S,5R)-5-benzoyl-4-(4-methylphenyl)-1,3-oxazolidin-2-one?
(4S,5R)-5-benzoyl-4-(4-methylphenyl)-1,3-oxazolidin-2-one has a molecular weight of 281.31 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-benzoyl-4-(4-methylphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 57333457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).