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

C27H38N2O3Si2 — CID 15348921

IUPAC(4S)-3-[(3S,4R)-1-[bis(trimethylsilyl)methyl]-2-oxo-4-(2-phenylethyl)azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESC[Si](C)(C)C(N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1CCc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C27H38N2O3Si2/c1-33(2,3)27(34(4,5)6)29-22(18-17-20-13-9-7-10-14-20)24(25(29)30)28-23(19-32-26(28)31)21-15-11-8-12-16-21/h7-16,22-24,27H,17-19H2,1-6H3/t22-,23-,24+/m1/s1
InChIKeyDWDIMJQMLSUTGH-SMIHKQSGSA-N
MW494.78 g/mol
LogP5.52
Rot. Bonds8

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

(4S)-3-[(3S,4R)-1-[bis(trimethylsilyl)methyl]-2-oxo-4-(2-phenylethyl)azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 15348921) has the molecular formula C27H38N2O3Si2 and a molecular weight of 494.78 g/mol. Its IUPAC name is (4S)-3-[(3S,4R)-1-[bis(trimethylsilyl)methyl]-2-oxo-4-(2-phenylethyl)azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(3S,4R)-1-[bis(trimethylsilyl)methyl]-2-oxo-4-(2-phenylethyl)azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID15348921
Molecular FormulaC27H38N2O3Si2
Molecular Weight494.78 g/mol
Exact Mass494.24
IUPAC Name(4S)-3-[(3S,4R)-1-[bis(trimethylsilyl)methyl]-2-oxo-4-(2-phenylethyl)azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESC[Si](C)(C)C(N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1CCc1ccccc1)[Si](C)(C)C
InChIInChI=1S/C27H38N2O3Si2/c1-33(2,3)27(34(4,5)6)29-22(18-17-20-13-9-7-10-14-20)24(25(29)30)28-23(19-32-26(28)31)21-15-11-8-12-16-21/h7-16,22-24,27H,17-19H2,1-6H3/t22-,23-,24+/m1/s1
InChIKeyDWDIMJQMLSUTGH-SMIHKQSGSA-N
XLogP5.52
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500494.78
LogP ≤ 55.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(3S,4R)-1-[bis(trimethylsilyl)methyl]-2-oxo-4-(2-phenylethyl)azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(3S,4R)-1-[bis(trimethylsilyl)methyl]-2-oxo-4-(2-phenylethyl)azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one (CID 15348921) is (4S)-3-[(3S,4R)-1-[bis(trimethylsilyl)methyl]-2-oxo-4-(2-phenylethyl)azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(3S,4R)-1-[bis(trimethylsilyl)methyl]-2-oxo-4-(2-phenylethyl)azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(3S,4R)-1-[bis(trimethylsilyl)methyl]-2-oxo-4-(2-phenylethyl)azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one is C[Si](C)(C)C(N1C(=O)[C@@H](N2C(=O)OC[C@@H]2c2ccccc2)[C@H]1CCc1ccccc1)[Si](C)(C)C.
What is the InChIKey of (4S)-3-[(3S,4R)-1-[bis(trimethylsilyl)methyl]-2-oxo-4-(2-phenylethyl)azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is DWDIMJQMLSUTGH-SMIHKQSGSA-N. The full InChI is InChI=1S/C27H38N2O3Si2/c1-33(2,3)27(34(4,5)6)29-22(18-17-20-13-9-7-10-14-20)24(25(29)30)28-23(19-32-26(28)31)21-15-11-8-12-16-21/h7-16,22-24,27H,17-19H2,1-6H3/t22-,23-,24+/m1/s1.
What are the key properties of (4S)-3-[(3S,4R)-1-[bis(trimethylsilyl)methyl]-2-oxo-4-(2-phenylethyl)azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-[(3S,4R)-1-[bis(trimethylsilyl)methyl]-2-oxo-4-(2-phenylethyl)azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 494.78 g/mol, XLogP of 5.52, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(3S,4R)-1-[bis(trimethylsilyl)methyl]-2-oxo-4-(2-phenylethyl)azetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 15348921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).