(4S)-4-tert-butyl-3-[(1S)-1-phenylethyl]-1,3-oxazolidine-2,5-dione

C15H19NO3 — CID 10858247

IUPAC(4S)-4-tert-butyl-3-[(1S)-1-phenylethyl]-1,3-oxazolidine-2,5-dione
SMILESC[C@@H](c1ccccc1)N1C(=O)OC(=O)[C@@H]1C(C)(C)C
InChIInChI=1S/C15H19NO3/c1-10(11-8-6-5-7-9-11)16-12(15(2,3)4)13(17)19-14(16)18/h5-10,12H,1-4H3/t10-,12+/m0/s1
InChIKeyOATLCOBVSWXIIM-CMPLNLGQSA-N
MW261.32 g/mol
LogP3.14
Rot. Bonds2

About (4S)-4-tert-butyl-3-[(1S)-1-phenylethyl]-1,3-oxazolidine-2,5-dione

(4S)-4-tert-butyl-3-[(1S)-1-phenylethyl]-1,3-oxazolidine-2,5-dione (PubChem CID 10858247) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is (4S)-4-tert-butyl-3-[(1S)-1-phenylethyl]-1,3-oxazolidine-2,5-dione.

Molecular Properties

Compound Name(4S)-4-tert-butyl-3-[(1S)-1-phenylethyl]-1,3-oxazolidine-2,5-dione
PubChem CID10858247
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name(4S)-4-tert-butyl-3-[(1S)-1-phenylethyl]-1,3-oxazolidine-2,5-dione
SMILESC[C@@H](c1ccccc1)N1C(=O)OC(=O)[C@@H]1C(C)(C)C
InChIInChI=1S/C15H19NO3/c1-10(11-8-6-5-7-9-11)16-12(15(2,3)4)13(17)19-14(16)18/h5-10,12H,1-4H3/t10-,12+/m0/s1
InChIKeyOATLCOBVSWXIIM-CMPLNLGQSA-N
XLogP3.14
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

(4S)-4-methyl-1-[(1S)-1-phenylethyl]azetidin-2-one
CID 11830202
4-benzyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one
CID 68997353
1-phenyl-2-[(1R)-1-phenylethyl]-1H-benzo[f][1,3]benzoxazin-3-one
CID 101367290
(3S,4R)-3-methyl-1-[(1R)-1-phenylethyl]-4-(trifluoromethyl)azetidin-2-one
CID 162539166
(3R,4S)-3-methoxy-4-[(2S,3R)-3-methoxy-4-oxo-1-[(1S)-1-phenylethyl]azetidin-2-yl]-1-[(1S)-1-phenylethyl]azetidin-2-one
CID 10597583
(3S,6S)-3,6-dibenzyl-1,4-bis[(1S)-1-phenylethyl]piperazine-2,5-dione
CID 11730822
3-benzhydryl-4-[(E)-but-2-enyl]-1,3-oxazolidine-2,5-dione
CID 139780863
(4R)-4-(benzenesulfonyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one
CID 102464759
5-ethyl-1-(1-phenylethyl)imidazolidine-2,4-dione
CID 150985688
(3R,4S)-3-deuterio-4-phenyl-1-[(1R)-1-phenylethyl]azetidin-2-one
CID 10538773
3-(1-phenylethyl)-1,3-oxazolidine-2,4-dione
CID 3029673
3a-methyl-5-[(1R)-1-phenylethyl]-6,6a-dihydro-4H-furo[3,4-c]pyrrole-1,3-dione
CID 155454979

Frequently Asked Questions

What is the IUPAC name of (4S)-4-tert-butyl-3-[(1S)-1-phenylethyl]-1,3-oxazolidine-2,5-dione?
The IUPAC name of (4S)-4-tert-butyl-3-[(1S)-1-phenylethyl]-1,3-oxazolidine-2,5-dione (CID 10858247) is (4S)-4-tert-butyl-3-[(1S)-1-phenylethyl]-1,3-oxazolidine-2,5-dione.
What is the SMILES notation for (4S)-4-tert-butyl-3-[(1S)-1-phenylethyl]-1,3-oxazolidine-2,5-dione?
The canonical SMILES for (4S)-4-tert-butyl-3-[(1S)-1-phenylethyl]-1,3-oxazolidine-2,5-dione is C[C@@H](c1ccccc1)N1C(=O)OC(=O)[C@@H]1C(C)(C)C.
What is the InChIKey of (4S)-4-tert-butyl-3-[(1S)-1-phenylethyl]-1,3-oxazolidine-2,5-dione?
The InChIKey is OATLCOBVSWXIIM-CMPLNLGQSA-N. The full InChI is InChI=1S/C15H19NO3/c1-10(11-8-6-5-7-9-11)16-12(15(2,3)4)13(17)19-14(16)18/h5-10,12H,1-4H3/t10-,12+/m0/s1.
What are the key properties of (4S)-4-tert-butyl-3-[(1S)-1-phenylethyl]-1,3-oxazolidine-2,5-dione?
(4S)-4-tert-butyl-3-[(1S)-1-phenylethyl]-1,3-oxazolidine-2,5-dione has a molecular weight of 261.32 g/mol, XLogP of 3.14, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-tert-butyl-3-[(1S)-1-phenylethyl]-1,3-oxazolidine-2,5-dione is sourced from PubChem (CID 10858247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).