4-benzyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide

C28H29N3O5 — CID 16821677

IUPAC4-benzyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCOc1cc(-c2nnc(NC(=O)c3ccc(Cc4ccccc4)cc3)o2)cc(OCC)c1OCC
InChIInChI=1S/C28H29N3O5/c1-4-33-23-17-22(18-24(34-5-2)25(23)35-6-3)27-30-31-28(36-27)29-26(32)21-14-12-20(13-15-21)16-19-10-8-7-9-11-19/h7-15,17-18H,4-6,16H2,1-3H3,(H,29,31,32)
InChIKeyUVNOFRSPYLJWHY-UHFFFAOYSA-N
MW487.56 g/mol
LogP5.78
Rot. Bonds11

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

4-benzyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 16821677) has the molecular formula C28H29N3O5 and a molecular weight of 487.56 g/mol. Its IUPAC name is 4-benzyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-benzyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID16821677
Molecular FormulaC28H29N3O5
Molecular Weight487.56 g/mol
Exact Mass487.21
IUPAC Name4-benzyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCOc1cc(-c2nnc(NC(=O)c3ccc(Cc4ccccc4)cc3)o2)cc(OCC)c1OCC
InChIInChI=1S/C28H29N3O5/c1-4-33-23-17-22(18-24(34-5-2)25(23)35-6-3)27-30-31-28(36-27)29-26(32)21-14-12-20(13-15-21)16-19-10-8-7-9-11-19/h7-15,17-18H,4-6,16H2,1-3H3,(H,29,31,32)
InChIKeyUVNOFRSPYLJWHY-UHFFFAOYSA-N
XLogP5.78
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.56
LogP ≤ 55.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-benzyl-N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43975649
4-chloro-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16821630
4-[benzyl(propan-2-yl)sulfamoyl]-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4228503
N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-phenylbenzamide
CID 43975859
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3,4,5-triethoxybenzamide
CID 43976750
3,4,5-triethoxy-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3522706
3,4,5-triethoxy-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43973248
4-[bis(prop-2-enyl)sulfamoyl]-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4164190
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-3,4,5-triethoxybenzamide
CID 90603090
N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 43975865
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4992936
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-phenoxybenzamide
CID 43975667

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-benzyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 16821677) is 4-benzyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-benzyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-benzyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide is CCOc1cc(-c2nnc(NC(=O)c3ccc(Cc4ccccc4)cc3)o2)cc(OCC)c1OCC.
What is the InChIKey of 4-benzyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is UVNOFRSPYLJWHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O5/c1-4-33-23-17-22(18-24(34-5-2)25(23)35-6-3)27-30-31-28(36-27)29-26(32)21-14-12-20(13-15-21)16-19-10-8-7-9-11-19/h7-15,17-18H,4-6,16H2,1-3H3,(H,29,31,32).
What are the key properties of 4-benzyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
4-benzyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 487.56 g/mol, XLogP of 5.78, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 16821677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).