[(2S,3R)-2,3-dimethyloxiran-2-yl]-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]methanone

C16H21NO3 — CID 11471355

IUPAC[(2S,3R)-2,3-dimethyloxiran-2-yl]-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]methanone
SMILESC[C@H]1O[C@]1(C)C(=O)N1[C@@H](c2ccccc2)COC1(C)C
InChIInChI=1S/C16H21NO3/c1-11-16(4,20-11)14(18)17-13(10-19-15(17,2)3)12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3/t11-,13-,16+/m1/s1
InChIKeyIEHBANPZIUNGKA-KFNAQCHYSA-N
MW275.35 g/mol
LogP2.50
Rot. Bonds2

About [(2S,3R)-2,3-dimethyloxiran-2-yl]-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]methanone

[(2S,3R)-2,3-dimethyloxiran-2-yl]-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]methanone (PubChem CID 11471355) has the molecular formula C16H21NO3 and a molecular weight of 275.35 g/mol. Its IUPAC name is [(2S,3R)-2,3-dimethyloxiran-2-yl]-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]methanone.

Molecular Properties

Compound Name[(2S,3R)-2,3-dimethyloxiran-2-yl]-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]methanone
PubChem CID11471355
Molecular FormulaC16H21NO3
Molecular Weight275.35 g/mol
Exact Mass275.15
IUPAC Name[(2S,3R)-2,3-dimethyloxiran-2-yl]-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]methanone
SMILESC[C@H]1O[C@]1(C)C(=O)N1[C@@H](c2ccccc2)COC1(C)C
InChIInChI=1S/C16H21NO3/c1-11-16(4,20-11)14(18)17-13(10-19-15(17,2)3)12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3/t11-,13-,16+/m1/s1
InChIKeyIEHBANPZIUNGKA-KFNAQCHYSA-N
XLogP2.50
TPSA42.07 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.35
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

1-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl](113C)ethylidenechromium
CID 11133153
carbon monoxide;1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]ethylidenechromium
CID 10927351
[1-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-2-phenylethylidene]chromium
CID 134872179
[1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]-4-[(2-methylpropan-2-yl)oxy]-4-oxobutylidene]chromium
CID 135076519
(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidine-3-carbaldehyde
CID 71352528
4-[(4S)-2,2-dimethyl-3-[(2-methylpropan-2-yl)oxycarbonyl]-1,3-oxazolidin-4-yl]benzoic acid
CID 67151557
carbon monoxide;1-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]pent-4-enylidenechromium
CID 135077135
tert-butyl (4R)-2,2-dimethyl-4-[(5S)-5-phenyl-4,5-dihydro-1,2-oxazol-3-yl]-1,3-oxazolidine-3-carboxylate
CID 10427737
[(2R,3S)-2,3-dimethyloxiran-2-yl]-[(4S)-4-phenyl-4,5-dihydro-1H-pyrazol-3-yl]methanone
CID 919230
[(2S,3S)-2,3-dimethyloxiran-2-yl]-[(4S)-4-phenyl-4,5-dihydro-1H-pyrazol-3-yl]methanone
CID 11901280
[(2R,3R)-2,3-dimethyloxiran-2-yl]-[(4S)-4-phenyl-4,5-dihydro-1H-pyrazol-3-yl]methanone
CID 11901281
methyl (2S)-2-[[(2S)-2-[(4R)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]propanoyl]amino]propanoate
CID 10735453

Frequently Asked Questions

What is the IUPAC name of [(2S,3R)-2,3-dimethyloxiran-2-yl]-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]methanone?
The IUPAC name of [(2S,3R)-2,3-dimethyloxiran-2-yl]-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]methanone (CID 11471355) is [(2S,3R)-2,3-dimethyloxiran-2-yl]-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]methanone.
What is the SMILES notation for [(2S,3R)-2,3-dimethyloxiran-2-yl]-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]methanone?
The canonical SMILES for [(2S,3R)-2,3-dimethyloxiran-2-yl]-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]methanone is C[C@H]1O[C@]1(C)C(=O)N1[C@@H](c2ccccc2)COC1(C)C.
What is the InChIKey of [(2S,3R)-2,3-dimethyloxiran-2-yl]-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]methanone?
The InChIKey is IEHBANPZIUNGKA-KFNAQCHYSA-N. The full InChI is InChI=1S/C16H21NO3/c1-11-16(4,20-11)14(18)17-13(10-19-15(17,2)3)12-8-6-5-7-9-12/h5-9,11,13H,10H2,1-4H3/t11-,13-,16+/m1/s1.
What are the key properties of [(2S,3R)-2,3-dimethyloxiran-2-yl]-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]methanone?
[(2S,3R)-2,3-dimethyloxiran-2-yl]-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]methanone has a molecular weight of 275.35 g/mol, XLogP of 2.50, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3R)-2,3-dimethyloxiran-2-yl]-[(4S)-2,2-dimethyl-4-phenyl-1,3-oxazolidin-3-yl]methanone is sourced from PubChem (CID 11471355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).