(4S,5R)-5-tert-butyl-4-phenyl-1,3-oxazolidin-2-one

C13H17NO2 — CID 22214859

IUPAC(4S,5R)-5-tert-butyl-4-phenyl-1,3-oxazolidin-2-one
SMILESCC(C)(C)[C@H]1OC(=O)N[C@H]1c1ccccc1
InChIInChI=1S/C13H17NO2/c1-13(2,3)11-10(14-12(15)16-11)9-7-5-4-6-8-9/h4-8,10-11H,1-3H3,(H,14,15)/t10-,11-/m0/s1
InChIKeyLEDJDSSFHYEIGQ-QWRGUYRKSA-N
MW219.28 g/mol
LogP2.88
Rot. Bonds1

About (4S,5R)-5-tert-butyl-4-phenyl-1,3-oxazolidin-2-one

(4S,5R)-5-tert-butyl-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 22214859) has the molecular formula C13H17NO2 and a molecular weight of 219.28 g/mol. Its IUPAC name is (4S,5R)-5-tert-butyl-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-5-tert-butyl-4-phenyl-1,3-oxazolidin-2-one
PubChem CID22214859
Molecular FormulaC13H17NO2
Molecular Weight219.28 g/mol
Exact Mass219.13
IUPAC Name(4S,5R)-5-tert-butyl-4-phenyl-1,3-oxazolidin-2-one
SMILESCC(C)(C)[C@H]1OC(=O)N[C@H]1c1ccccc1
InChIInChI=1S/C13H17NO2/c1-13(2,3)11-10(14-12(15)16-11)9-7-5-4-6-8-9/h4-8,10-11H,1-3H3,(H,14,15)/t10-,11-/m0/s1
InChIKeyLEDJDSSFHYEIGQ-QWRGUYRKSA-N
XLogP2.88
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.28
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-tert-butyl-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-5-tert-butyl-4-phenyl-1,3-oxazolidin-2-one (CID 22214859) is (4S,5R)-5-tert-butyl-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-5-tert-butyl-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-5-tert-butyl-4-phenyl-1,3-oxazolidin-2-one is CC(C)(C)[C@H]1OC(=O)N[C@H]1c1ccccc1.
What is the InChIKey of (4S,5R)-5-tert-butyl-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is LEDJDSSFHYEIGQ-QWRGUYRKSA-N. The full InChI is InChI=1S/C13H17NO2/c1-13(2,3)11-10(14-12(15)16-11)9-7-5-4-6-8-9/h4-8,10-11H,1-3H3,(H,14,15)/t10-,11-/m0/s1.
What are the key properties of (4S,5R)-5-tert-butyl-4-phenyl-1,3-oxazolidin-2-one?
(4S,5R)-5-tert-butyl-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 219.28 g/mol, XLogP of 2.88, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-5-tert-butyl-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 22214859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).