ethyl (4S,5R)-2-oxo-4-phenyl-3-propan-2-yl-1,3-oxazolidine-5-carboxylate

C15H19NO4 — CID 154732270

IUPACethyl (4S,5R)-2-oxo-4-phenyl-3-propan-2-yl-1,3-oxazolidine-5-carboxylate
SMILESCCOC(=O)[C@@H]1OC(=O)N(C(C)C)[C@H]1c1ccccc1
InChIInChI=1S/C15H19NO4/c1-4-19-14(17)13-12(11-8-6-5-7-9-11)16(10(2)3)15(18)20-13/h5-10,12-13H,4H2,1-3H3/t12-,13+/m0/s1
InChIKeyVHMZYMFWWFWHRN-QWHCGFSZSA-N
MW277.32 g/mol
LogP2.52
Rot. Bonds4

About ethyl (4S,5R)-2-oxo-4-phenyl-3-propan-2-yl-1,3-oxazolidine-5-carboxylate

ethyl (4S,5R)-2-oxo-4-phenyl-3-propan-2-yl-1,3-oxazolidine-5-carboxylate (PubChem CID 154732270) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is ethyl (4S,5R)-2-oxo-4-phenyl-3-propan-2-yl-1,3-oxazolidine-5-carboxylate.

Molecular Properties

Compound Nameethyl (4S,5R)-2-oxo-4-phenyl-3-propan-2-yl-1,3-oxazolidine-5-carboxylate
PubChem CID154732270
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Nameethyl (4S,5R)-2-oxo-4-phenyl-3-propan-2-yl-1,3-oxazolidine-5-carboxylate
SMILESCCOC(=O)[C@@H]1OC(=O)N(C(C)C)[C@H]1c1ccccc1
InChIInChI=1S/C15H19NO4/c1-4-19-14(17)13-12(11-8-6-5-7-9-11)16(10(2)3)15(18)20-13/h5-10,12-13H,4H2,1-3H3/t12-,13+/m0/s1
InChIKeyVHMZYMFWWFWHRN-QWHCGFSZSA-N
XLogP2.52
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl (4S,5R)-2-oxo-4-phenyl-3-propan-2-yl-1,3-oxazolidine-5-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (4S,5R)-2-oxo-4-phenyl-3-propan-2-yl-1,3-oxazolidine-5-carboxylate?
The IUPAC name of ethyl (4S,5R)-2-oxo-4-phenyl-3-propan-2-yl-1,3-oxazolidine-5-carboxylate (CID 154732270) is ethyl (4S,5R)-2-oxo-4-phenyl-3-propan-2-yl-1,3-oxazolidine-5-carboxylate.
What is the SMILES notation for ethyl (4S,5R)-2-oxo-4-phenyl-3-propan-2-yl-1,3-oxazolidine-5-carboxylate?
The canonical SMILES for ethyl (4S,5R)-2-oxo-4-phenyl-3-propan-2-yl-1,3-oxazolidine-5-carboxylate is CCOC(=O)[C@@H]1OC(=O)N(C(C)C)[C@H]1c1ccccc1.
What is the InChIKey of ethyl (4S,5R)-2-oxo-4-phenyl-3-propan-2-yl-1,3-oxazolidine-5-carboxylate?
The InChIKey is VHMZYMFWWFWHRN-QWHCGFSZSA-N. The full InChI is InChI=1S/C15H19NO4/c1-4-19-14(17)13-12(11-8-6-5-7-9-11)16(10(2)3)15(18)20-13/h5-10,12-13H,4H2,1-3H3/t12-,13+/m0/s1.
What are the key properties of ethyl (4S,5R)-2-oxo-4-phenyl-3-propan-2-yl-1,3-oxazolidine-5-carboxylate?
ethyl (4S,5R)-2-oxo-4-phenyl-3-propan-2-yl-1,3-oxazolidine-5-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4S,5R)-2-oxo-4-phenyl-3-propan-2-yl-1,3-oxazolidine-5-carboxylate is sourced from PubChem (CID 154732270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).