3-[(E,4S,5R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-(4-nitrophenyl)pent-2-enoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one

C36H44N2O6Si — CID 132992429

IUPAC3-[(E,4S,5R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-(4-nitrophenyl)pent-2-enoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)C1N(C(=O)/C=C/[C@H](C)[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c2ccc([N+](=O)[O-])cc2)C(=O)OC1(C)C
InChIInChI=1S/C36H44N2O6Si/c1-25(2)33-36(7,8)43-34(40)37(33)31(39)24-19-26(3)32(27-20-22-28(23-21-27)38(41)42)44-45(35(4,5)6,29-15-11-9-12-16-29)30-17-13-10-14-18-30/h9-26,32-33H,1-8H3/b24-19+/t26-,32+,33?/m0/s1
InChIKeyXIBREUMTUIHAJC-DBRGBPLSSA-N
MW628.84 g/mol
LogP7.19
Rot. Bonds10

About 3-[(E,4S,5R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-(4-nitrophenyl)pent-2-enoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one

3-[(E,4S,5R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-(4-nitrophenyl)pent-2-enoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 132992429) has the molecular formula C36H44N2O6Si and a molecular weight of 628.84 g/mol. Its IUPAC name is 3-[(E,4S,5R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-(4-nitrophenyl)pent-2-enoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[(E,4S,5R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-(4-nitrophenyl)pent-2-enoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID132992429
Molecular FormulaC36H44N2O6Si
Molecular Weight628.84 g/mol
Exact Mass628.30
IUPAC Name3-[(E,4S,5R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-(4-nitrophenyl)pent-2-enoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCC(C)C1N(C(=O)/C=C/[C@H](C)[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c2ccc([N+](=O)[O-])cc2)C(=O)OC1(C)C
InChIInChI=1S/C36H44N2O6Si/c1-25(2)33-36(7,8)43-34(40)37(33)31(39)24-19-26(3)32(27-20-22-28(23-21-27)38(41)42)44-45(35(4,5)6,29-15-11-9-12-16-29)30-17-13-10-14-18-30/h9-26,32-33H,1-8H3/b24-19+/t26-,32+,33?/m0/s1
InChIKeyXIBREUMTUIHAJC-DBRGBPLSSA-N
XLogP7.19
TPSA98.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500628.84
LogP ≤ 57.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-[(E,4S,5R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-(4-nitrophenyl)pent-2-enoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4S)-3-[(E,4S,5R)-5-methoxy-4-methyl-5-(4-nitrophenyl)pent-2-enoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 132849566
(4S)-3-[(1Z)-1-[tert-butyl(diphenyl)silyl]oxybuta-1,3-dienyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 139049588
3-[(E)-3-nitroprop-2-enoyl]-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 102166389
(4S)-3-[(E,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-methylpent-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 101174119
tert-butyl-[(1R,2R)-2-[tert-butyl(diphenyl)silyl]oxy-1,2-diphenylethoxy]-diphenylsilane
CID 11028852
(4S)-4-benzyl-3-[(E,4S)-5-[tert-butyl(diphenyl)silyl]oxy-4-phenylmethoxypent-2-enoyl]-1,3-oxazolidin-2-one
CID 10908274
(4R,5S)-4-[(1R)-1-aminoethyl]-5-[(1R)-1-[tert-butyl(diphenyl)silyl]oxypropyl]-5-methyl-3-prop-2-enyl-1,3-oxazolidin-2-one
CID 140703040
5,5-diphenyl-4-propan-2-yl-3-prop-2-enoyl-1,3-oxazolidin-2-one
CID 5251096
(4R)-4-benzyl-3-[(E,5R)-6-[tert-butyl(diphenyl)silyl]oxy-5-methylhex-2-enoyl]-1,3-oxazolidin-2-one
CID 12018409
(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-ol
CID 102030687
S-[(3S)-3-[(1R)-1-[(4-nitrophenyl)methoxycarbonyloxy]ethyl]-2-oxoazetidin-1-yl] 2-[tert-butyl(diphenyl)silyl]oxyethanethioate
CID 88706528
(2S,3S)-N-benzyl-3-[tert-butyl(dimethyl)silyl]oxy-2-fluoro-3-(4-nitrophenyl)propanamide
CID 102533772

Frequently Asked Questions

What is the IUPAC name of 3-[(E,4S,5R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-(4-nitrophenyl)pent-2-enoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of 3-[(E,4S,5R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-(4-nitrophenyl)pent-2-enoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one (CID 132992429) is 3-[(E,4S,5R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-(4-nitrophenyl)pent-2-enoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[(E,4S,5R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-(4-nitrophenyl)pent-2-enoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[(E,4S,5R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-(4-nitrophenyl)pent-2-enoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one is CC(C)C1N(C(=O)/C=C/[C@H](C)[C@@H](O[Si](c2ccccc2)(c2ccccc2)C(C)(C)C)c2ccc([N+](=O)[O-])cc2)C(=O)OC1(C)C.
What is the InChIKey of 3-[(E,4S,5R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-(4-nitrophenyl)pent-2-enoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is XIBREUMTUIHAJC-DBRGBPLSSA-N. The full InChI is InChI=1S/C36H44N2O6Si/c1-25(2)33-36(7,8)43-34(40)37(33)31(39)24-19-26(3)32(27-20-22-28(23-21-27)38(41)42)44-45(35(4,5)6,29-15-11-9-12-16-29)30-17-13-10-14-18-30/h9-26,32-33H,1-8H3/b24-19+/t26-,32+,33?/m0/s1.
What are the key properties of 3-[(E,4S,5R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-(4-nitrophenyl)pent-2-enoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one?
3-[(E,4S,5R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-(4-nitrophenyl)pent-2-enoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 628.84 g/mol, XLogP of 7.19, 10 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E,4S,5R)-5-[tert-butyl(diphenyl)silyl]oxy-4-methyl-5-(4-nitrophenyl)pent-2-enoyl]-5,5-dimethyl-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 132992429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).