(4S)-5,5-diphenyl-4-propan-2-yl-3-(3-trimethylsilylprop-2-ynyl)-1,3-oxazolidin-2-one

C24H29NO2Si — CID 11211500

IUPAC(4S)-5,5-diphenyl-4-propan-2-yl-3-(3-trimethylsilylprop-2-ynyl)-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H]1N(CC#C[Si](C)(C)C)C(=O)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H29NO2Si/c1-19(2)22-24(20-13-8-6-9-14-20,21-15-10-7-11-16-21)27-23(26)25(22)17-12-18-28(3,4)5/h6-11,13-16,19,22H,17H2,1-5H3/t22-/m0/s1
InChIKeyNWIBVOHBKSHMNH-QFIPXVFZSA-N
MW391.59 g/mol
LogP5.29
Rot. Bonds4

About (4S)-5,5-diphenyl-4-propan-2-yl-3-(3-trimethylsilylprop-2-ynyl)-1,3-oxazolidin-2-one

(4S)-5,5-diphenyl-4-propan-2-yl-3-(3-trimethylsilylprop-2-ynyl)-1,3-oxazolidin-2-one (PubChem CID 11211500) has the molecular formula C24H29NO2Si and a molecular weight of 391.59 g/mol. Its IUPAC name is (4S)-5,5-diphenyl-4-propan-2-yl-3-(3-trimethylsilylprop-2-ynyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-5,5-diphenyl-4-propan-2-yl-3-(3-trimethylsilylprop-2-ynyl)-1,3-oxazolidin-2-one
PubChem CID11211500
Molecular FormulaC24H29NO2Si
Molecular Weight391.59 g/mol
Exact Mass391.20
IUPAC Name(4S)-5,5-diphenyl-4-propan-2-yl-3-(3-trimethylsilylprop-2-ynyl)-1,3-oxazolidin-2-one
SMILESCC(C)[C@@H]1N(CC#C[Si](C)(C)C)C(=O)OC1(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H29NO2Si/c1-19(2)22-24(20-13-8-6-9-14-20,21-15-10-7-11-16-21)27-23(26)25(22)17-12-18-28(3,4)5/h6-11,13-16,19,22H,17H2,1-5H3/t22-/m0/s1
InChIKeyNWIBVOHBKSHMNH-QFIPXVFZSA-N
XLogP5.29
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.59
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-Pyrrolidinol, 2-methyl-1-phenethyl-3-phenyl-, propionate (ester)
CID 3053132
7-Methyl-1,1-diphenyl-5,6,8,8a-tetrahydro-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 44560643
(4S)-5,5-Diphenyl-4-(propan-2-yl)-1,3-oxazolidin-2-one
CID 9838646
1,2-Dimethyl-3-phenylpyrrolidin-3-yl diethylcarbamate
CID 58447
3-Pyrrolidinol, 1-cinnamyl-2-methyl-3-phenyl-, propionate (ester)
CID 6446984
(R)-4-Isopropyl-5,5-diphenyloxazolidin-2-one
CID 11300512
tert-butyl (S)-2-(hydroxydiphenylmethyl)pyrrolidine-1-carboxylate
CID 24867804
(7aS)-1,1-diphenyl-5,6,7,7a-tetrahydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
CID 11808065
benzyl (4S,5S)-4-benzyl-5-(trifluoromethyl)-5-trimethylsilyloxy-1,3-oxazolidine-3-carboxylate
CID 57311188
(4S)-3-(2-fluoroacetyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 131856627
(4S)-3-(2,2-difluoroacetyl)-5,5-diphenyl-4-propan-2-yl-1,3-oxazolidin-2-one
CID 131856628
tert-butyl (2R)-2-[hydroxy(diphenyl)methyl]pyrrolidine-1-carboxylate
CID 11451043

Frequently Asked Questions

What is the IUPAC name of (4S)-5,5-diphenyl-4-propan-2-yl-3-(3-trimethylsilylprop-2-ynyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-5,5-diphenyl-4-propan-2-yl-3-(3-trimethylsilylprop-2-ynyl)-1,3-oxazolidin-2-one (CID 11211500) is (4S)-5,5-diphenyl-4-propan-2-yl-3-(3-trimethylsilylprop-2-ynyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-5,5-diphenyl-4-propan-2-yl-3-(3-trimethylsilylprop-2-ynyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-5,5-diphenyl-4-propan-2-yl-3-(3-trimethylsilylprop-2-ynyl)-1,3-oxazolidin-2-one is CC(C)[C@@H]1N(CC#C[Si](C)(C)C)C(=O)OC1(c1ccccc1)c1ccccc1.
What is the InChIKey of (4S)-5,5-diphenyl-4-propan-2-yl-3-(3-trimethylsilylprop-2-ynyl)-1,3-oxazolidin-2-one?
The InChIKey is NWIBVOHBKSHMNH-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H29NO2Si/c1-19(2)22-24(20-13-8-6-9-14-20,21-15-10-7-11-16-21)27-23(26)25(22)17-12-18-28(3,4)5/h6-11,13-16,19,22H,17H2,1-5H3/t22-/m0/s1.
What are the key properties of (4S)-5,5-diphenyl-4-propan-2-yl-3-(3-trimethylsilylprop-2-ynyl)-1,3-oxazolidin-2-one?
(4S)-5,5-diphenyl-4-propan-2-yl-3-(3-trimethylsilylprop-2-ynyl)-1,3-oxazolidin-2-one has a molecular weight of 391.59 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5,5-diphenyl-4-propan-2-yl-3-(3-trimethylsilylprop-2-ynyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 11211500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).