5-phenyl-3-(trimethylsilylmethyl)-1,3,4-oxadiazol-2-one

C12H16N2O2Si — CID 134106929

IUPAC5-phenyl-3-(trimethylsilylmethyl)-1,3,4-oxadiazol-2-one
SMILESC[Si](C)(C)Cn1nc(-c2ccccc2)oc1=O
InChIInChI=1S/C12H16N2O2Si/c1-17(2,3)9-14-12(15)16-11(13-14)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKeyPSMRSQRSZOFPLW-UHFFFAOYSA-N
MW248.36 g/mol
LogP2.38
Rot. Bonds3

About 5-phenyl-3-(trimethylsilylmethyl)-1,3,4-oxadiazol-2-one

5-phenyl-3-(trimethylsilylmethyl)-1,3,4-oxadiazol-2-one (PubChem CID 134106929) has the molecular formula C12H16N2O2Si and a molecular weight of 248.36 g/mol. Its IUPAC name is 5-phenyl-3-(trimethylsilylmethyl)-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name5-phenyl-3-(trimethylsilylmethyl)-1,3,4-oxadiazol-2-one
PubChem CID134106929
Molecular FormulaC12H16N2O2Si
Molecular Weight248.36 g/mol
Exact Mass248.10
IUPAC Name5-phenyl-3-(trimethylsilylmethyl)-1,3,4-oxadiazol-2-one
SMILESC[Si](C)(C)Cn1nc(-c2ccccc2)oc1=O
InChIInChI=1S/C12H16N2O2Si/c1-17(2,3)9-14-12(15)16-11(13-14)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3
InChIKeyPSMRSQRSZOFPLW-UHFFFAOYSA-N
XLogP2.38
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.36
LogP ≤ 52.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 5-phenyl-3-(trimethylsilylmethyl)-1,3,4-oxadiazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-butyl-5-phenyl-1,3,4-oxadiazol-2-one
CID 14816002
3-[(4-methylphenyl)sulfanylmethyl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 3700631
3-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)propanamide
CID 51108219
3-[[(2S,6S)-2,6-dimethylmorpholin-4-yl]methyl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 36694091
3-[2-(4-methylphenyl)sulfonylethyl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 3746046
[2-(dimethylamino)-2-oxoethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 8835595
3-[[(2S)-2-methylmorpholin-4-yl]methyl]-5-phenyl-1,3,4-oxadiazol-2-one
CID 36697538
phenacyl 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 7578667
(2R)-N,4-dimethyl-2-[[2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetyl]amino]pentanamide
CID 95128201
[(1R)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl] 2-(2-oxo-5-phenyl-1,3,4-oxadiazol-3-yl)acetate
CID 8835962
2-[5-(4-fluorophenyl)-2-oxo-1,3,4-oxadiazol-3-yl]-N-methyl-N-phenylacetamide
CID 17488468
5-(4-fluorophenyl)-3-[(3-phenyl-1,2-oxazol-5-yl)methyl]-1,3,4-oxadiazol-2-one
CID 37175464

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-3-(trimethylsilylmethyl)-1,3,4-oxadiazol-2-one?
The IUPAC name of 5-phenyl-3-(trimethylsilylmethyl)-1,3,4-oxadiazol-2-one (CID 134106929) is 5-phenyl-3-(trimethylsilylmethyl)-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 5-phenyl-3-(trimethylsilylmethyl)-1,3,4-oxadiazol-2-one?
The canonical SMILES for 5-phenyl-3-(trimethylsilylmethyl)-1,3,4-oxadiazol-2-one is C[Si](C)(C)Cn1nc(-c2ccccc2)oc1=O.
What is the InChIKey of 5-phenyl-3-(trimethylsilylmethyl)-1,3,4-oxadiazol-2-one?
The InChIKey is PSMRSQRSZOFPLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O2Si/c1-17(2,3)9-14-12(15)16-11(13-14)10-7-5-4-6-8-10/h4-8H,9H2,1-3H3.
What are the key properties of 5-phenyl-3-(trimethylsilylmethyl)-1,3,4-oxadiazol-2-one?
5-phenyl-3-(trimethylsilylmethyl)-1,3,4-oxadiazol-2-one has a molecular weight of 248.36 g/mol, XLogP of 2.38, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-3-(trimethylsilylmethyl)-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 134106929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).