(4S)-4-benzyl-3-[2-[4-[dimethyl(prop-2-enyl)silyl]phenyl]-2-oxoethyl]-1,3-oxazolidin-2-one

C23H27NO3Si — CID 70306539

IUPAC(4S)-4-benzyl-3-[2-[4-[dimethyl(prop-2-enyl)silyl]phenyl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESC=CC[Si](C)(C)c1ccc(C(=O)CN2C(=O)OC[C@@H]2Cc2ccccc2)cc1
InChIInChI=1S/C23H27NO3Si/c1-4-14-28(2,3)21-12-10-19(11-13-21)22(25)16-24-20(17-27-23(24)26)15-18-8-6-5-7-9-18/h4-13,20H,1,14-17H2,2-3H3/t20-/m0/s1
InChIKeyQBNFYVNZQIJNJG-FQEVSTJZSA-N
MW393.56 g/mol
LogP4.03
Rot. Bonds8

About (4S)-4-benzyl-3-[2-[4-[dimethyl(prop-2-enyl)silyl]phenyl]-2-oxoethyl]-1,3-oxazolidin-2-one

(4S)-4-benzyl-3-[2-[4-[dimethyl(prop-2-enyl)silyl]phenyl]-2-oxoethyl]-1,3-oxazolidin-2-one (PubChem CID 70306539) has the molecular formula C23H27NO3Si and a molecular weight of 393.56 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[2-[4-[dimethyl(prop-2-enyl)silyl]phenyl]-2-oxoethyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[2-[4-[dimethyl(prop-2-enyl)silyl]phenyl]-2-oxoethyl]-1,3-oxazolidin-2-one
PubChem CID70306539
Molecular FormulaC23H27NO3Si
Molecular Weight393.56 g/mol
Exact Mass393.18
IUPAC Name(4S)-4-benzyl-3-[2-[4-[dimethyl(prop-2-enyl)silyl]phenyl]-2-oxoethyl]-1,3-oxazolidin-2-one
SMILESC=CC[Si](C)(C)c1ccc(C(=O)CN2C(=O)OC[C@@H]2Cc2ccccc2)cc1
InChIInChI=1S/C23H27NO3Si/c1-4-14-28(2,3)21-12-10-19(11-13-21)22(25)16-24-20(17-27-23(24)26)15-18-8-6-5-7-9-18/h4-13,20H,1,14-17H2,2-3H3/t20-/m0/s1
InChIKeyQBNFYVNZQIJNJG-FQEVSTJZSA-N
XLogP4.03
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.56
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)acetic acid
CID 82372064
(4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one
CID 735929
(4S)-4-benzyl-3-propyl-1,3-oxazolidin-2-one
CID 155294169
(4R)-4-benzyl-3-[(E)-1-hydroxyprop-1-enyl]-1,3-oxazolidin-2-one
CID 100990536
(4S)-4-benzyl-3-hexadecyl-1,3-oxazolidin-2-one
CID 150010367
(4S)-4-benzyl-3-(2-methylprop-2-enoyl)-1,3-oxazolidin-2-one
CID 10421971
(4S)-4-benzyl-3-[(2S)-2-bromopent-4-enoyl]-1,3-oxazolidin-2-one
CID 14604020
4-benzyl-3-[(E)-but-2-enoyl]-1,3-oxazolidin-2-one
CID 6383358
(4S)-4-benzyl-3-but-2-ynoyl-1,3-oxazolidin-2-one
CID 10243489
(4S)-4-benzyl-3-[(E)-2-methylpent-3-enoyl]-1,3-oxazolidin-2-one
CID 126628879
(4S)-4-benzyl-3-(4,4-dimethylpent-2-enoyl)-1,3-oxazolidin-2-one
CID 91131954
(4R)-4-benzyl-3-[(2S)-3-fluoro-2-methylpropanoyl]-1,3-oxazolidin-2-one
CID 129274259

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[2-[4-[dimethyl(prop-2-enyl)silyl]phenyl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-4-benzyl-3-[2-[4-[dimethyl(prop-2-enyl)silyl]phenyl]-2-oxoethyl]-1,3-oxazolidin-2-one (CID 70306539) is (4S)-4-benzyl-3-[2-[4-[dimethyl(prop-2-enyl)silyl]phenyl]-2-oxoethyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-4-benzyl-3-[2-[4-[dimethyl(prop-2-enyl)silyl]phenyl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-4-benzyl-3-[2-[4-[dimethyl(prop-2-enyl)silyl]phenyl]-2-oxoethyl]-1,3-oxazolidin-2-one is C=CC[Si](C)(C)c1ccc(C(=O)CN2C(=O)OC[C@@H]2Cc2ccccc2)cc1.
What is the InChIKey of (4S)-4-benzyl-3-[2-[4-[dimethyl(prop-2-enyl)silyl]phenyl]-2-oxoethyl]-1,3-oxazolidin-2-one?
The InChIKey is QBNFYVNZQIJNJG-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H27NO3Si/c1-4-14-28(2,3)21-12-10-19(11-13-21)22(25)16-24-20(17-27-23(24)26)15-18-8-6-5-7-9-18/h4-13,20H,1,14-17H2,2-3H3/t20-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[2-[4-[dimethyl(prop-2-enyl)silyl]phenyl]-2-oxoethyl]-1,3-oxazolidin-2-one?
(4S)-4-benzyl-3-[2-[4-[dimethyl(prop-2-enyl)silyl]phenyl]-2-oxoethyl]-1,3-oxazolidin-2-one has a molecular weight of 393.56 g/mol, XLogP of 4.03, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[2-[4-[dimethyl(prop-2-enyl)silyl]phenyl]-2-oxoethyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 70306539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).