tert-butyl (4S,5S)-4-benzyl-5-(hydroxymethyl)-2-oxo-1,3-oxazolidine-3-carboxylate

C16H21NO5 — CID 139809811

IUPACtert-butyl (4S,5S)-4-benzyl-5-(hydroxymethyl)-2-oxo-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)O[C@H](CO)[C@@H]1Cc1ccccc1
InChIInChI=1S/C16H21NO5/c1-16(2,3)22-15(20)17-12(13(10-18)21-14(17)19)9-11-7-5-4-6-8-11/h4-8,12-13,18H,9-10H2,1-3H3/t12-,13+/m0/s1
InChIKeySFBZNUJMJCCNDV-QWHCGFSZSA-N
MW307.35 g/mol
LogP2.35
Rot. Bonds3

About tert-butyl (4S,5S)-4-benzyl-5-(hydroxymethyl)-2-oxo-1,3-oxazolidine-3-carboxylate

tert-butyl (4S,5S)-4-benzyl-5-(hydroxymethyl)-2-oxo-1,3-oxazolidine-3-carboxylate (PubChem CID 139809811) has the molecular formula C16H21NO5 and a molecular weight of 307.35 g/mol. Its IUPAC name is tert-butyl (4S,5S)-4-benzyl-5-(hydroxymethyl)-2-oxo-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S,5S)-4-benzyl-5-(hydroxymethyl)-2-oxo-1,3-oxazolidine-3-carboxylate
PubChem CID139809811
Molecular FormulaC16H21NO5
Molecular Weight307.35 g/mol
Exact Mass307.14
IUPAC Nametert-butyl (4S,5S)-4-benzyl-5-(hydroxymethyl)-2-oxo-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1C(=O)O[C@H](CO)[C@@H]1Cc1ccccc1
InChIInChI=1S/C16H21NO5/c1-16(2,3)22-15(20)17-12(13(10-18)21-14(17)19)9-11-7-5-4-6-8-11/h4-8,12-13,18H,9-10H2,1-3H3/t12-,13+/m0/s1
InChIKeySFBZNUJMJCCNDV-QWHCGFSZSA-N
XLogP2.35
TPSA76.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl (4S,5S)-4-benzyl-5-(hydroxymethyl)-2-oxo-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 (4S,5S)-4-benzyl-5-(hydroxymethyl)-2-oxo-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S,5S)-4-benzyl-5-(hydroxymethyl)-2-oxo-1,3-oxazolidine-3-carboxylate (CID 139809811) is tert-butyl (4S,5S)-4-benzyl-5-(hydroxymethyl)-2-oxo-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S,5S)-4-benzyl-5-(hydroxymethyl)-2-oxo-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S,5S)-4-benzyl-5-(hydroxymethyl)-2-oxo-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1C(=O)O[C@H](CO)[C@@H]1Cc1ccccc1.
What is the InChIKey of tert-butyl (4S,5S)-4-benzyl-5-(hydroxymethyl)-2-oxo-1,3-oxazolidine-3-carboxylate?
The InChIKey is SFBZNUJMJCCNDV-QWHCGFSZSA-N. The full InChI is InChI=1S/C16H21NO5/c1-16(2,3)22-15(20)17-12(13(10-18)21-14(17)19)9-11-7-5-4-6-8-11/h4-8,12-13,18H,9-10H2,1-3H3/t12-,13+/m0/s1.
What are the key properties of tert-butyl (4S,5S)-4-benzyl-5-(hydroxymethyl)-2-oxo-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S,5S)-4-benzyl-5-(hydroxymethyl)-2-oxo-1,3-oxazolidine-3-carboxylate has a molecular weight of 307.35 g/mol, XLogP of 2.35, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S,5S)-4-benzyl-5-(hydroxymethyl)-2-oxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 139809811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).