[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-trimethylsilane

C19H23NOSi — CID 141438666

IUPAC[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1ccccc1C1=N[C@@H](Cc2ccccc2)CO1
InChIInChI=1S/C19H23NOSi/c1-22(2,3)18-12-8-7-11-17(18)19-20-16(14-21-19)13-15-9-5-4-6-10-15/h4-12,16H,13-14H2,1-3H3/t16-/m0/s1
InChIKeyKKVNZCYWVRZDOD-INIZCTEOSA-N
MW309.48 g/mol
LogP3.62
Rot. Bonds4

About [2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-trimethylsilane

[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-trimethylsilane (PubChem CID 141438666) has the molecular formula C19H23NOSi and a molecular weight of 309.48 g/mol. Its IUPAC name is [2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-trimethylsilane.

Molecular Properties

Compound Name[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-trimethylsilane
PubChem CID141438666
Molecular FormulaC19H23NOSi
Molecular Weight309.48 g/mol
Exact Mass309.15
IUPAC Name[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-trimethylsilane
SMILESC[Si](C)(C)c1ccccc1C1=N[C@@H](Cc2ccccc2)CO1
InChIInChI=1S/C19H23NOSi/c1-22(2,3)18-12-8-7-11-17(18)19-20-16(14-21-19)13-15-9-5-4-6-10-15/h4-12,16H,13-14H2,1-3H3/t16-/m0/s1
InChIKeyKKVNZCYWVRZDOD-INIZCTEOSA-N
XLogP3.62
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(4-benzyl-4,5-dihydro-1,3-oxazol-2-yl)phenol
CID 136749627
(4S)-4-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-4,5-dihydro-1,3-oxazole
CID 697622
2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline
CID 11049225
(4R)-4-benzyl-2-naphthalen-1-yl-4,5-dihydro-1,3-oxazole
CID 25010932
(4S)-4-benzyl-2-[2-[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]sulfanylphenyl]-4,5-dihydro-1,3-oxazole
CID 101496730
(4R)-4-benzyl-2-[6-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]dibenzofuran-4-yl]-4,5-dihydro-1,3-oxazole
CID 25139688
4-benzyl-2-(2-iodylphenyl)-4,5-dihydro-1,3-oxazole
CID 135070410
[2-[(4R)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane
CID 127256029
N-benzyl-2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]aniline
CID 102499049
4-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]fluoren-9-one
CID 46930892
2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-6-tert-butylphenol
CID 135432223
2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-N-[2-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]aniline
CID 10895469

Frequently Asked Questions

What is the IUPAC name of [2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-trimethylsilane?
The IUPAC name of [2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-trimethylsilane (CID 141438666) is [2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-trimethylsilane.
What is the SMILES notation for [2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-trimethylsilane?
The canonical SMILES for [2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-trimethylsilane is C[Si](C)(C)c1ccccc1C1=N[C@@H](Cc2ccccc2)CO1.
What is the InChIKey of [2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-trimethylsilane?
The InChIKey is KKVNZCYWVRZDOD-INIZCTEOSA-N. The full InChI is InChI=1S/C19H23NOSi/c1-22(2,3)18-12-8-7-11-17(18)19-20-16(14-21-19)13-15-9-5-4-6-10-15/h4-12,16H,13-14H2,1-3H3/t16-/m0/s1.
What are the key properties of [2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-trimethylsilane?
[2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-trimethylsilane has a molecular weight of 309.48 g/mol, XLogP of 3.62, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-trimethylsilane is sourced from PubChem (CID 141438666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).