(4S)-3-[(3R,4R)-1-[bis(trimethylsilyl)methyl]-3-methyl-2-oxo-4-phenylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one

C26H36N2O3Si2 — CID 23251078

IUPAC(4S)-3-[(3R,4R)-1-[bis(trimethylsilyl)methyl]-3-methyl-2-oxo-4-phenylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESC[C@]1(N2C(=O)OC[C@@H]2c2ccccc2)C(=O)N(C([Si](C)(C)C)[Si](C)(C)C)[C@@H]1c1ccccc1
InChIInChI=1S/C26H36N2O3Si2/c1-26(28-21(18-31-24(28)30)19-14-10-8-11-15-19)22(20-16-12-9-13-17-20)27(23(26)29)25(32(2,3)4)33(5,6)7/h8-17,21-22,25H,18H2,1-7H3/t21-,22-,26-/m1/s1
InChIKeyRTWUNDBYZVVZLU-XLGIIRLISA-N
MW480.76 g/mol
LogP5.65
Rot. Bonds6

About (4S)-3-[(3R,4R)-1-[bis(trimethylsilyl)methyl]-3-methyl-2-oxo-4-phenylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-[(3R,4R)-1-[bis(trimethylsilyl)methyl]-3-methyl-2-oxo-4-phenylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 23251078) has the molecular formula C26H36N2O3Si2 and a molecular weight of 480.76 g/mol. Its IUPAC name is (4S)-3-[(3R,4R)-1-[bis(trimethylsilyl)methyl]-3-methyl-2-oxo-4-phenylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(3R,4R)-1-[bis(trimethylsilyl)methyl]-3-methyl-2-oxo-4-phenylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID23251078
Molecular FormulaC26H36N2O3Si2
Molecular Weight480.76 g/mol
Exact Mass480.23
IUPAC Name(4S)-3-[(3R,4R)-1-[bis(trimethylsilyl)methyl]-3-methyl-2-oxo-4-phenylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESC[C@]1(N2C(=O)OC[C@@H]2c2ccccc2)C(=O)N(C([Si](C)(C)C)[Si](C)(C)C)[C@@H]1c1ccccc1
InChIInChI=1S/C26H36N2O3Si2/c1-26(28-21(18-31-24(28)30)19-14-10-8-11-15-19)22(20-16-12-9-13-17-20)27(23(26)29)25(32(2,3)4)33(5,6)7/h8-17,21-22,25H,18H2,1-7H3/t21-,22-,26-/m1/s1
InChIKeyRTWUNDBYZVVZLU-XLGIIRLISA-N
XLogP5.65
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500480.76
LogP ≤ 55.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Launch Full Analysis

Related Compounds

tert-butyl (2R)-2-methyl-2-[(3S,4R)-3-methyl-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenylazetidin-1-yl]pent-4-enoate
CID 14506186
(4R)-4-phenyl-3-[(1S)-1-trimethylsilyloxyethyl]-1,3-oxazolidin-2-one
CID 134936571
tert-butyl (2R)-2-benzyl-2-[(3S,4R)-3-methyl-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenylazetidin-1-yl]pent-4-enoate
CID 134870452
(4R)-4-phenyl-3-[(Z)-2-tri(propan-2-yl)silylethenyl]-1,3-oxazolidin-2-one
CID 11588253
(2R)-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2-phenylacetic acid
CID 134870683
(4R)-3-[(2S)-1-nitropropan-2-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 100948483
4-phenyl-3-(2-phenylpropanoyl)-1,3-oxazolidin-2-one
CID 59942448
methyl (1R,5S)-2-oxo-1-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]bicyclo[3.1.0]hexane-6-carboxylate
CID 139254683
3-(3-methylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 67991997
(3S,7aR)-7a-methyl-3,6-diphenyl-2,3-dihydropyrrolo[2,1-b][1,3]oxazol-5-one
CID 11022657
(4R)-3-[(E)-3-hydroxybut-1-enyl]-4-phenyl-1,3-oxazolidin-2-one
CID 10922425
(4S)-3-butyl-4-phenyl-1,3-oxazolidin-2-one
CID 134941159

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(3R,4R)-1-[bis(trimethylsilyl)methyl]-3-methyl-2-oxo-4-phenylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(3R,4R)-1-[bis(trimethylsilyl)methyl]-3-methyl-2-oxo-4-phenylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one (CID 23251078) is (4S)-3-[(3R,4R)-1-[bis(trimethylsilyl)methyl]-3-methyl-2-oxo-4-phenylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(3R,4R)-1-[bis(trimethylsilyl)methyl]-3-methyl-2-oxo-4-phenylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(3R,4R)-1-[bis(trimethylsilyl)methyl]-3-methyl-2-oxo-4-phenylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one is C[C@]1(N2C(=O)OC[C@@H]2c2ccccc2)C(=O)N(C([Si](C)(C)C)[Si](C)(C)C)[C@@H]1c1ccccc1.
What is the InChIKey of (4S)-3-[(3R,4R)-1-[bis(trimethylsilyl)methyl]-3-methyl-2-oxo-4-phenylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is RTWUNDBYZVVZLU-XLGIIRLISA-N. The full InChI is InChI=1S/C26H36N2O3Si2/c1-26(28-21(18-31-24(28)30)19-14-10-8-11-15-19)22(20-16-12-9-13-17-20)27(23(26)29)25(32(2,3)4)33(5,6)7/h8-17,21-22,25H,18H2,1-7H3/t21-,22-,26-/m1/s1.
What are the key properties of (4S)-3-[(3R,4R)-1-[bis(trimethylsilyl)methyl]-3-methyl-2-oxo-4-phenylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[(3R,4R)-1-[bis(trimethylsilyl)methyl]-3-methyl-2-oxo-4-phenylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 480.76 g/mol, XLogP of 5.65, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(3R,4R)-1-[bis(trimethylsilyl)methyl]-3-methyl-2-oxo-4-phenylazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 23251078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).