tert-butyl (4R)-5-oxo-4-(3-oxo-3-phenylmethoxypropyl)-1,3-oxazolidine-3-carboxylate

C18H23NO6 — CID 90419460

IUPACtert-butyl (4R)-5-oxo-4-(3-oxo-3-phenylmethoxypropyl)-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1COC(=O)[C@H]1CCC(=O)OCc1ccccc1
InChIInChI=1S/C18H23NO6/c1-18(2,3)25-17(22)19-12-24-16(21)14(19)9-10-15(20)23-11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3/t14-/m1/s1
InChIKeyVMHARZWXGLNAEO-CQSZACIVSA-N
MW349.38 g/mol
LogP2.63
Rot. Bonds5

About tert-butyl (4R)-5-oxo-4-(3-oxo-3-phenylmethoxypropyl)-1,3-oxazolidine-3-carboxylate

tert-butyl (4R)-5-oxo-4-(3-oxo-3-phenylmethoxypropyl)-1,3-oxazolidine-3-carboxylate (PubChem CID 90419460) has the molecular formula C18H23NO6 and a molecular weight of 349.38 g/mol. Its IUPAC name is tert-butyl (4R)-5-oxo-4-(3-oxo-3-phenylmethoxypropyl)-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4R)-5-oxo-4-(3-oxo-3-phenylmethoxypropyl)-1,3-oxazolidine-3-carboxylate
PubChem CID90419460
Molecular FormulaC18H23NO6
Molecular Weight349.38 g/mol
Exact Mass349.15
IUPAC Nametert-butyl (4R)-5-oxo-4-(3-oxo-3-phenylmethoxypropyl)-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1COC(=O)[C@H]1CCC(=O)OCc1ccccc1
InChIInChI=1S/C18H23NO6/c1-18(2,3)25-17(22)19-12-24-16(21)14(19)9-10-15(20)23-11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3/t14-/m1/s1
InChIKeyVMHARZWXGLNAEO-CQSZACIVSA-N
XLogP2.63
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.38
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze tert-butyl (4R)-5-oxo-4-(3-oxo-3-phenylmethoxypropyl)-1,3-oxazolidine-3-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 tert-butyl (4R)-5-oxo-4-(3-oxo-3-phenylmethoxypropyl)-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4R)-5-oxo-4-(3-oxo-3-phenylmethoxypropyl)-1,3-oxazolidine-3-carboxylate (CID 90419460) is tert-butyl (4R)-5-oxo-4-(3-oxo-3-phenylmethoxypropyl)-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4R)-5-oxo-4-(3-oxo-3-phenylmethoxypropyl)-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4R)-5-oxo-4-(3-oxo-3-phenylmethoxypropyl)-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1COC(=O)[C@H]1CCC(=O)OCc1ccccc1.
What is the InChIKey of tert-butyl (4R)-5-oxo-4-(3-oxo-3-phenylmethoxypropyl)-1,3-oxazolidine-3-carboxylate?
The InChIKey is VMHARZWXGLNAEO-CQSZACIVSA-N. The full InChI is InChI=1S/C18H23NO6/c1-18(2,3)25-17(22)19-12-24-16(21)14(19)9-10-15(20)23-11-13-7-5-4-6-8-13/h4-8,14H,9-12H2,1-3H3/t14-/m1/s1.
What are the key properties of tert-butyl (4R)-5-oxo-4-(3-oxo-3-phenylmethoxypropyl)-1,3-oxazolidine-3-carboxylate?
tert-butyl (4R)-5-oxo-4-(3-oxo-3-phenylmethoxypropyl)-1,3-oxazolidine-3-carboxylate has a molecular weight of 349.38 g/mol, XLogP of 2.63, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4R)-5-oxo-4-(3-oxo-3-phenylmethoxypropyl)-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 90419460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).