(4S)-3-[(2R,3S)-3-(4-methoxyphenyl)-2-methyl-3-trimethylsilyloxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

C20H31NO5Si — CID 24746064

IUPAC(4S)-3-[(2R,3S)-3-(4-methoxyphenyl)-2-methyl-3-trimethylsilyloxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCOc1ccc([C@@H](O[Si](C)(C)C)[C@@H](C)C(=O)N2C(=O)OC[C@@H]2C(C)C)cc1
InChIInChI=1S/C20H31NO5Si/c1-13(2)17-12-25-20(23)21(17)19(22)14(3)18(26-27(5,6)7)15-8-10-16(24-4)11-9-15/h8-11,13-14,17-18H,12H2,1-7H3/t14-,17-,18+/m1/s1
InChIKeyOJHBPKMIWIJEBH-OLMNPRSZSA-N
MW393.56 g/mol
LogP4.23
Rot. Bonds7

About (4S)-3-[(2R,3S)-3-(4-methoxyphenyl)-2-methyl-3-trimethylsilyloxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one

(4S)-3-[(2R,3S)-3-(4-methoxyphenyl)-2-methyl-3-trimethylsilyloxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (PubChem CID 24746064) has the molecular formula C20H31NO5Si and a molecular weight of 393.56 g/mol. Its IUPAC name is (4S)-3-[(2R,3S)-3-(4-methoxyphenyl)-2-methyl-3-trimethylsilyloxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-[(2R,3S)-3-(4-methoxyphenyl)-2-methyl-3-trimethylsilyloxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
PubChem CID24746064
Molecular FormulaC20H31NO5Si
Molecular Weight393.56 g/mol
Exact Mass393.20
IUPAC Name(4S)-3-[(2R,3S)-3-(4-methoxyphenyl)-2-methyl-3-trimethylsilyloxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one
SMILESCOc1ccc([C@@H](O[Si](C)(C)C)[C@@H](C)C(=O)N2C(=O)OC[C@@H]2C(C)C)cc1
InChIInChI=1S/C20H31NO5Si/c1-13(2)17-12-25-20(23)21(17)19(22)14(3)18(26-27(5,6)7)15-8-10-16(24-4)11-9-15/h8-11,13-14,17-18H,12H2,1-7H3/t14-,17-,18+/m1/s1
InChIKeyOJHBPKMIWIJEBH-OLMNPRSZSA-N
XLogP4.23
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.56
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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-[(2R,3S)-3-(4-methoxyphenyl)-2-methyl-3-trimethylsilyloxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-[(2R,3S)-3-(4-methoxyphenyl)-2-methyl-3-trimethylsilyloxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one (CID 24746064) is (4S)-3-[(2R,3S)-3-(4-methoxyphenyl)-2-methyl-3-trimethylsilyloxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-[(2R,3S)-3-(4-methoxyphenyl)-2-methyl-3-trimethylsilyloxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-[(2R,3S)-3-(4-methoxyphenyl)-2-methyl-3-trimethylsilyloxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is COc1ccc([C@@H](O[Si](C)(C)C)[C@@H](C)C(=O)N2C(=O)OC[C@@H]2C(C)C)cc1.
What is the InChIKey of (4S)-3-[(2R,3S)-3-(4-methoxyphenyl)-2-methyl-3-trimethylsilyloxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
The InChIKey is OJHBPKMIWIJEBH-OLMNPRSZSA-N. The full InChI is InChI=1S/C20H31NO5Si/c1-13(2)17-12-25-20(23)21(17)19(22)14(3)18(26-27(5,6)7)15-8-10-16(24-4)11-9-15/h8-11,13-14,17-18H,12H2,1-7H3/t14-,17-,18+/m1/s1.
What are the key properties of (4S)-3-[(2R,3S)-3-(4-methoxyphenyl)-2-methyl-3-trimethylsilyloxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one?
(4S)-3-[(2R,3S)-3-(4-methoxyphenyl)-2-methyl-3-trimethylsilyloxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one has a molecular weight of 393.56 g/mol, XLogP of 4.23, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-[(2R,3S)-3-(4-methoxyphenyl)-2-methyl-3-trimethylsilyloxypropanoyl]-4-propan-2-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 24746064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).