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

C15H19NO4 — CID 11482799

IUPACtert-butyl (4S)-4-benzyl-5-oxo-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1COC(=O)[C@@H]1Cc1ccccc1
InChIInChI=1S/C15H19NO4/c1-15(2,3)20-14(18)16-10-19-13(17)12(16)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3/t12-/m0/s1
InChIKeyWQKVMDWNYRTAJN-LBPRGKRZSA-N
MW277.32 g/mol
LogP2.35
Rot. Bonds2

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

tert-butyl (4S)-4-benzyl-5-oxo-1,3-oxazolidine-3-carboxylate (PubChem CID 11482799) has the molecular formula C15H19NO4 and a molecular weight of 277.32 g/mol. Its IUPAC name is tert-butyl (4S)-4-benzyl-5-oxo-1,3-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (4S)-4-benzyl-5-oxo-1,3-oxazolidine-3-carboxylate
PubChem CID11482799
Molecular FormulaC15H19NO4
Molecular Weight277.32 g/mol
Exact Mass277.13
IUPAC Nametert-butyl (4S)-4-benzyl-5-oxo-1,3-oxazolidine-3-carboxylate
SMILESCC(C)(C)OC(=O)N1COC(=O)[C@@H]1Cc1ccccc1
InChIInChI=1S/C15H19NO4/c1-15(2,3)20-14(18)16-10-19-13(17)12(16)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3/t12-/m0/s1
InChIKeyWQKVMDWNYRTAJN-LBPRGKRZSA-N
XLogP2.35
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 52.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (4S)-4-benzyl-5-oxo-1,3-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (4S)-4-benzyl-5-oxo-1,3-oxazolidine-3-carboxylate (CID 11482799) is tert-butyl (4S)-4-benzyl-5-oxo-1,3-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (4S)-4-benzyl-5-oxo-1,3-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (4S)-4-benzyl-5-oxo-1,3-oxazolidine-3-carboxylate is CC(C)(C)OC(=O)N1COC(=O)[C@@H]1Cc1ccccc1.
What is the InChIKey of tert-butyl (4S)-4-benzyl-5-oxo-1,3-oxazolidine-3-carboxylate?
The InChIKey is WQKVMDWNYRTAJN-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H19NO4/c1-15(2,3)20-14(18)16-10-19-13(17)12(16)9-11-7-5-4-6-8-11/h4-8,12H,9-10H2,1-3H3/t12-/m0/s1.
What are the key properties of tert-butyl (4S)-4-benzyl-5-oxo-1,3-oxazolidine-3-carboxylate?
tert-butyl (4S)-4-benzyl-5-oxo-1,3-oxazolidine-3-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 2.35, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (4S)-4-benzyl-5-oxo-1,3-oxazolidine-3-carboxylate is sourced from PubChem (CID 11482799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).