(4S)-3-[(E)-3-[dimethyl(phenyl)silyl]prop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C17H23NO3Si — CID 44521101

IUPAC(4S)-3-[(E)-3-[dimethyl(phenyl)silyl]prop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1C(=O)/C=C/[Si](C)(C)c1ccccc1
InChIInChI=1S/C17H23NO3Si/c1-13(2)15-12-21-17(20)18(15)16(19)10-11-22(3,4)14-8-6-5-7-9-14/h5-11,13,15H,12H2,1-4H3/b11-10+/t15-/m1/s1
InChIKeyYWSBSKPMKIVBML-AUECHBEKSA-N
MW317.46 g/mol
LogP2.70
Rot. Bonds4

About (4S)-3-[(E)-3-[dimethyl(phenyl)silyl]prop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[(E)-3-[dimethyl(phenyl)silyl]prop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 44521101) has the molecular formula C17H23NO3Si and a molecular weight of 317.46 g/mol. Its IUPAC name is (4S)-3-[(E)-3-[dimethyl(phenyl)silyl]prop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(E)-3-[dimethyl(phenyl)silyl]prop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID44521101
Molecular FormulaC17H23NO3Si
Molecular Weight317.46 g/mol
Exact Mass317.14
IUPAC Name(4S)-3-[(E)-3-[dimethyl(phenyl)silyl]prop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)[C@H]1COC(=O)N1C(=O)/C=C/[Si](C)(C)c1ccccc1
InChIInChI=1S/C17H23NO3Si/c1-13(2)15-12-21-17(20)18(15)16(19)10-11-22(3,4)14-8-6-5-7-9-14/h5-11,13,15H,12H2,1-4H3/b11-10+/t15-/m1/s1
InChIKeyYWSBSKPMKIVBML-AUECHBEKSA-N
XLogP2.70
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.46
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

tert-butyl (4R)-4-[2-[tert-butyl(diphenyl)silyl]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 10837991
tert-butyl (4R)-4-[(E)-2-[dimethyl(phenyl)silyl]ethenyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11132182
(E,3S)-7-[(4S)-4-tert-butyl-2-oxo-1,3-oxazolidin-3-yl]-3-[dimethyl(phenyl)silyl]-7-oxohept-5-enal
CID 11315596
tert-butyl (4R)-4-[2-[dimethyl(phenyl)silyl]ethyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 15383274
(S)-4-Isopropyl-3-(3-phenylacryloyl)oxazolidin-2-one
CID 10355199
(4R)-4-benzyl-3-[(2R,3E)-2-methyl-5-(trimethylsilyl)pent-3-enoyl]-1,3-oxazolidin-2-one
CID 57801802
tert-butyl (4S)-4-[(E,1S)-1-[dimethyl(phenyl)silyl]hexadec-2-enyl]-2,2-dimethyl-1,3-oxazolidine-3-carboxylate
CID 11656951
(4S)-3-[(E)-3-phenylbut-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 12101380
(4S)-3-[(Z)-2-methyl-3-phenylprop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 15935693
(4R)-4-benzyl-3-[(Z,2R)-2-methyl-5-trimethylsilylpent-3-enoyl]-1,3-oxazolidin-2-one
CID 134983265
(4R)-4-benzyl-3-[(E)-2-methyl-5-trimethylsilylpent-3-enoyl]-1,3-oxazolidin-2-one
CID 154709765
(4R)-3-[(2R)-2-phenylselanylpropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
CID 640416

Frequently Asked Questions

What is the IUPAC name of (4S)-3-[(E)-3-[dimethyl(phenyl)silyl]prop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(E)-3-[dimethyl(phenyl)silyl]prop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 44521101) is (4S)-3-[(E)-3-[dimethyl(phenyl)silyl]prop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(E)-3-[dimethyl(phenyl)silyl]prop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(E)-3-[dimethyl(phenyl)silyl]prop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)[C@H]1COC(=O)N1C(=O)/C=C/[Si](C)(C)c1ccccc1.
What is the InChIKey of (4S)-3-[(E)-3-[dimethyl(phenyl)silyl]prop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is YWSBSKPMKIVBML-AUECHBEKSA-N. The full InChI is InChI=1S/C17H23NO3Si/c1-13(2)15-12-21-17(20)18(15)16(19)10-11-22(3,4)14-8-6-5-7-9-14/h5-11,13,15H,12H2,1-4H3/b11-10+/t15-/m1/s1.
What are the key properties of (4S)-3-[(E)-3-[dimethyl(phenyl)silyl]prop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(E)-3-[dimethyl(phenyl)silyl]prop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 317.46 g/mol, XLogP of 2.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(E)-3-[dimethyl(phenyl)silyl]prop-2-enoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 44521101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).