[3-[4-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-5-trimethylstannylthiophen-2-yl]-trimethylsilane

C21H31NOSSiSn — CID 135078366

IUPAC[3-[4-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-5-trimethylstannylthiophen-2-yl]-trimethylsilane
SMILESCC[C@@H]1COC(c2ccc(-c3cc([Sn](C)(C)C)sc3[Si](C)(C)C)cc2)=N1
InChIInChI=1S/C18H22NOSSi.3CH3.Sn/c1-5-15-12-20-17(19-15)14-8-6-13(7-9-14)16-10-11-21-18(16)22(2,3)4;;;;/h6-10,15H,5,12H2,1-4H3;3*1H3;/t15-;;;;/m1..../s1
InChIKeyRDXLLGQJPFMOCZ-FKOXPEIHSA-N
MW492.35 g/mol
LogP5.06
Rot. Bonds5

About [3-[4-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-5-trimethylstannylthiophen-2-yl]-trimethylsilane

[3-[4-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-5-trimethylstannylthiophen-2-yl]-trimethylsilane (PubChem CID 135078366) has the molecular formula C21H31NOSSiSn and a molecular weight of 492.35 g/mol. Its IUPAC name is [3-[4-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-5-trimethylstannylthiophen-2-yl]-trimethylsilane.

Molecular Properties

Compound Name[3-[4-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-5-trimethylstannylthiophen-2-yl]-trimethylsilane
PubChem CID135078366
Molecular FormulaC21H31NOSSiSn
Molecular Weight492.35 g/mol
Exact Mass493.09
IUPAC Name[3-[4-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-5-trimethylstannylthiophen-2-yl]-trimethylsilane
SMILESCC[C@@H]1COC(c2ccc(-c3cc([Sn](C)(C)C)sc3[Si](C)(C)C)cc2)=N1
InChIInChI=1S/C18H22NOSSi.3CH3.Sn/c1-5-15-12-20-17(19-15)14-8-6-13(7-9-14)16-10-11-21-18(16)22(2,3)4;;;;/h6-10,15H,5,12H2,1-4H3;3*1H3;/t15-;;;;/m1..../s1
InChIKeyRDXLLGQJPFMOCZ-FKOXPEIHSA-N
XLogP5.06
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.35
LogP ≤ 55.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 [3-[4-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-5-trimethylstannylthiophen-2-yl]-trimethylsilane?
The IUPAC name of [3-[4-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-5-trimethylstannylthiophen-2-yl]-trimethylsilane (CID 135078366) is [3-[4-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-5-trimethylstannylthiophen-2-yl]-trimethylsilane.
What is the SMILES notation for [3-[4-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-5-trimethylstannylthiophen-2-yl]-trimethylsilane?
The canonical SMILES for [3-[4-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-5-trimethylstannylthiophen-2-yl]-trimethylsilane is CC[C@@H]1COC(c2ccc(-c3cc([Sn](C)(C)C)sc3[Si](C)(C)C)cc2)=N1.
What is the InChIKey of [3-[4-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-5-trimethylstannylthiophen-2-yl]-trimethylsilane?
The InChIKey is RDXLLGQJPFMOCZ-FKOXPEIHSA-N. The full InChI is InChI=1S/C18H22NOSSi.3CH3.Sn/c1-5-15-12-20-17(19-15)14-8-6-13(7-9-14)16-10-11-21-18(16)22(2,3)4;;;;/h6-10,15H,5,12H2,1-4H3;3*1H3;/t15-;;;;/m1..../s1.
What are the key properties of [3-[4-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-5-trimethylstannylthiophen-2-yl]-trimethylsilane?
[3-[4-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-5-trimethylstannylthiophen-2-yl]-trimethylsilane has a molecular weight of 492.35 g/mol, XLogP of 5.06, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-[(4R)-4-ethyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-5-trimethylstannylthiophen-2-yl]-trimethylsilane is sourced from PubChem (CID 135078366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).