(4S,5S)-3-tert-butyl-5-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one

C22H29NO4 — CID 71499963

IUPAC(4S,5S)-3-tert-butyl-5-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one
SMILESC=C[C@@H]1OC(C)(C)O[C@@H]1[C@H]1OC(=O)N(C(C)(C)C)[C@H]1/C=C/c1ccccc1
InChIInChI=1S/C22H29NO4/c1-7-17-19(27-22(5,6)26-17)18-16(14-13-15-11-9-8-10-12-15)23(20(24)25-18)21(2,3)4/h7-14,16-19H,1H2,2-6H3/b14-13+/t16-,17-,18-,19-/m0/s1
InChIKeyUBOAXRLGKMXBSZ-XHERKDLZSA-N
MW371.48 g/mol
LogP4.39
Rot. Bonds4

About (4S,5S)-3-tert-butyl-5-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one

(4S,5S)-3-tert-butyl-5-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one (PubChem CID 71499963) has the molecular formula C22H29NO4 and a molecular weight of 371.48 g/mol. Its IUPAC name is (4S,5S)-3-tert-butyl-5-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-3-tert-butyl-5-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one
PubChem CID71499963
Molecular FormulaC22H29NO4
Molecular Weight371.48 g/mol
Exact Mass371.21
IUPAC Name(4S,5S)-3-tert-butyl-5-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one
SMILESC=C[C@@H]1OC(C)(C)O[C@@H]1[C@H]1OC(=O)N(C(C)(C)C)[C@H]1/C=C/c1ccccc1
InChIInChI=1S/C22H29NO4/c1-7-17-19(27-22(5,6)26-17)18-16(14-13-15-11-9-8-10-12-15)23(20(24)25-18)21(2,3)4/h7-14,16-19H,1H2,2-6H3/b14-13+/t16-,17-,18-,19-/m0/s1
InChIKeyUBOAXRLGKMXBSZ-XHERKDLZSA-N
XLogP4.39
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.48
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4S,5S)-3-tert-butyl-5-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one 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 (4S,5S)-3-tert-butyl-5-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-3-tert-butyl-5-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one (CID 71499963) is (4S,5S)-3-tert-butyl-5-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-3-tert-butyl-5-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-3-tert-butyl-5-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one is C=C[C@@H]1OC(C)(C)O[C@@H]1[C@H]1OC(=O)N(C(C)(C)C)[C@H]1/C=C/c1ccccc1.
What is the InChIKey of (4S,5S)-3-tert-butyl-5-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one?
The InChIKey is UBOAXRLGKMXBSZ-XHERKDLZSA-N. The full InChI is InChI=1S/C22H29NO4/c1-7-17-19(27-22(5,6)26-17)18-16(14-13-15-11-9-8-10-12-15)23(20(24)25-18)21(2,3)4/h7-14,16-19H,1H2,2-6H3/b14-13+/t16-,17-,18-,19-/m0/s1.
What are the key properties of (4S,5S)-3-tert-butyl-5-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one?
(4S,5S)-3-tert-butyl-5-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one has a molecular weight of 371.48 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-3-tert-butyl-5-[(4S,5S)-5-ethenyl-2,2-dimethyl-1,3-dioxolan-4-yl]-4-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 71499963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).