N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(4-trimethylsilylphenyl)benzamide

C22H21N3O3Si — CID 70941246

IUPACN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(4-trimethylsilylphenyl)benzamide
SMILESC[Si](C)(C)c1ccc(-c2cccc(C(=O)Nc3nnc(-c4ccco4)o3)c2)cc1
InChIInChI=1S/C22H21N3O3Si/c1-29(2,3)18-11-9-15(10-12-18)16-6-4-7-17(14-16)20(26)23-22-25-24-21(28-22)19-8-5-13-27-19/h4-14H,1-3H3,(H,23,25,26)
InChIKeyRAYVCKFDASDEHF-UHFFFAOYSA-N
MW403.51 g/mol
LogP4.79
Rot. Bonds5

About N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(4-trimethylsilylphenyl)benzamide

N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(4-trimethylsilylphenyl)benzamide (PubChem CID 70941246) has the molecular formula C22H21N3O3Si and a molecular weight of 403.51 g/mol. Its IUPAC name is N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(4-trimethylsilylphenyl)benzamide.

Molecular Properties

Compound NameN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(4-trimethylsilylphenyl)benzamide
PubChem CID70941246
Molecular FormulaC22H21N3O3Si
Molecular Weight403.51 g/mol
Exact Mass403.14
IUPAC NameN-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(4-trimethylsilylphenyl)benzamide
SMILESC[Si](C)(C)c1ccc(-c2cccc(C(=O)Nc3nnc(-c4ccco4)o3)c2)cc1
InChIInChI=1S/C22H21N3O3Si/c1-29(2,3)18-11-9-15(10-12-18)16-6-4-7-17(14-16)20(26)23-22-25-24-21(28-22)19-8-5-13-27-19/h4-14H,1-3H3,(H,23,25,26)
InChIKeyRAYVCKFDASDEHF-UHFFFAOYSA-N
XLogP4.79
TPSA81.16 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.51
LogP ≤ 54.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(4-ethenylphenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 89120372
3-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 70941439
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(6-methylsulfanyl-3-pyridinyl)benzamide
CID 70941244
3-(3-fluoro-4-phenylphenyl)-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 70941308
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-methylsulfanylbenzamide
CID 7266914
tert-butyl 4-[4-[3-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]carbamoyl]phenyl]phenyl]piperazine-1-carboxylate
CID 53327676
3-acetamido-5-[4-(4-ethylphenyl)phenyl]-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 70941259
3-cyano-N-[5-[3-(furan-2-yl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 177345157
3-bromo-5-chloro-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 70941202
3-bromo-N-[4-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]benzamide
CID 2231472
4-ethylsulfonyl-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7295297
3-bromo-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-5-nitrobenzamide
CID 70941492

Frequently Asked Questions

What is the IUPAC name of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(4-trimethylsilylphenyl)benzamide?
The IUPAC name of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(4-trimethylsilylphenyl)benzamide (CID 70941246) is N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(4-trimethylsilylphenyl)benzamide.
What is the SMILES notation for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(4-trimethylsilylphenyl)benzamide?
The canonical SMILES for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(4-trimethylsilylphenyl)benzamide is C[Si](C)(C)c1ccc(-c2cccc(C(=O)Nc3nnc(-c4ccco4)o3)c2)cc1.
What is the InChIKey of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(4-trimethylsilylphenyl)benzamide?
The InChIKey is RAYVCKFDASDEHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3Si/c1-29(2,3)18-11-9-15(10-12-18)16-6-4-7-17(14-16)20(26)23-22-25-24-21(28-22)19-8-5-13-27-19/h4-14H,1-3H3,(H,23,25,26).
What are the key properties of N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(4-trimethylsilylphenyl)benzamide?
N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(4-trimethylsilylphenyl)benzamide has a molecular weight of 403.51 g/mol, XLogP of 4.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]-3-(4-trimethylsilylphenyl)benzamide is sourced from PubChem (CID 70941246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).