trimethyl-[4-phenylsulfanyl-5-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopenta-1,3-dien-1-yl]silane

C20H27NOSSi — CID 100954885

IUPACtrimethyl-[4-phenylsulfanyl-5-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopenta-1,3-dien-1-yl]silane
SMILESCC(C)[C@H]1COC(C2C(Sc3ccccc3)=CC=C2[Si](C)(C)C)=N1
InChIInChI=1S/C20H27NOSSi/c1-14(2)16-13-22-20(21-16)19-17(11-12-18(19)24(3,4)5)23-15-9-7-6-8-10-15/h6-12,14,16,19H,13H2,1-5H3/t16-,19?/m1/s1
InChIKeyXBWJWZINGPTMBO-VTBWFHPJSA-N
MW357.60 g/mol
LogP5.55
Rot. Bonds5

About trimethyl-[4-phenylsulfanyl-5-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopenta-1,3-dien-1-yl]silane

trimethyl-[4-phenylsulfanyl-5-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopenta-1,3-dien-1-yl]silane (PubChem CID 100954885) has the molecular formula C20H27NOSSi and a molecular weight of 357.60 g/mol. Its IUPAC name is trimethyl-[4-phenylsulfanyl-5-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopenta-1,3-dien-1-yl]silane.

Molecular Properties

Compound Nametrimethyl-[4-phenylsulfanyl-5-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopenta-1,3-dien-1-yl]silane
PubChem CID100954885
Molecular FormulaC20H27NOSSi
Molecular Weight357.60 g/mol
Exact Mass357.16
IUPAC Nametrimethyl-[4-phenylsulfanyl-5-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopenta-1,3-dien-1-yl]silane
SMILESCC(C)[C@H]1COC(C2C(Sc3ccccc3)=CC=C2[Si](C)(C)C)=N1
InChIInChI=1S/C20H27NOSSi/c1-14(2)16-13-22-20(21-16)19-17(11-12-18(19)24(3,4)5)23-15-9-7-6-8-10-15/h6-12,14,16,19H,13H2,1-5H3/t16-,19?/m1/s1
InChIKeyXBWJWZINGPTMBO-VTBWFHPJSA-N
XLogP5.55
TPSA21.59 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500357.60
LogP ≤ 55.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-tert-butyl-2-(phenylsulfanylmethyl)-4,5-dihydro-1,3-oxazole
CID 9992269
(4S)-2-(phenylsulfanylmethyl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 10466612
CID 10696443
CID 10696443
CID 10696444
CID 10696444
(2S,5R)-3,6-dimethoxy-2-(2-phenylsulfanylprop-2-enyl)-5-propan-2-yl-2,5-dihydropyrazine
CID 10735346
(4S)-4-tert-butyl-2-(2-phenylsulfanylcyclopenta-2,4-dien-1-yl)-4,5-dihydro-1,3-oxazole
CID 12165896
[5-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-4-phenylsulfanylcyclopenta-1,3-dien-1-yl]-trimethylsilane
CID 100954886
[5-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]-4-phenylsulfanylcyclopenta-1,3-dien-1-yl]-trimethylsilane
CID 100954887
(4S)-2-(2-phenylsulfanylcyclopenta-2,4-dien-1-yl)-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 100954889
(4S)-2-[2-(4-methylphenyl)sulfanylcyclopenta-2,4-dien-1-yl]-4-propan-2-yl-4,5-dihydro-1,3-oxazole
CID 100954890

Frequently Asked Questions

What is the IUPAC name of trimethyl-[4-phenylsulfanyl-5-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopenta-1,3-dien-1-yl]silane?
The IUPAC name of trimethyl-[4-phenylsulfanyl-5-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopenta-1,3-dien-1-yl]silane (CID 100954885) is trimethyl-[4-phenylsulfanyl-5-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopenta-1,3-dien-1-yl]silane.
What is the SMILES notation for trimethyl-[4-phenylsulfanyl-5-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopenta-1,3-dien-1-yl]silane?
The canonical SMILES for trimethyl-[4-phenylsulfanyl-5-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopenta-1,3-dien-1-yl]silane is CC(C)[C@H]1COC(C2C(Sc3ccccc3)=CC=C2[Si](C)(C)C)=N1.
What is the InChIKey of trimethyl-[4-phenylsulfanyl-5-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopenta-1,3-dien-1-yl]silane?
The InChIKey is XBWJWZINGPTMBO-VTBWFHPJSA-N. The full InChI is InChI=1S/C20H27NOSSi/c1-14(2)16-13-22-20(21-16)19-17(11-12-18(19)24(3,4)5)23-15-9-7-6-8-10-15/h6-12,14,16,19H,13H2,1-5H3/t16-,19?/m1/s1.
What are the key properties of trimethyl-[4-phenylsulfanyl-5-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopenta-1,3-dien-1-yl]silane?
trimethyl-[4-phenylsulfanyl-5-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopenta-1,3-dien-1-yl]silane has a molecular weight of 357.60 g/mol, XLogP of 5.55, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trimethyl-[4-phenylsulfanyl-5-[(4S)-4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl]cyclopenta-1,3-dien-1-yl]silane is sourced from PubChem (CID 100954885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).