3,4,5-triethoxy-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide

C23H27N3O5 — CID 43973248

IUPAC3,4,5-triethoxy-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCOc1cc(C(=O)Nc2nnc(Cc3ccc(C)cc3)o2)cc(OCC)c1OCC
InChIInChI=1S/C23H27N3O5/c1-5-28-18-13-17(14-19(29-6-2)21(18)30-7-3)22(27)24-23-26-25-20(31-23)12-16-10-8-15(4)9-11-16/h8-11,13-14H,5-7,12H2,1-4H3,(H,24,26,27)
InChIKeyZOYYIMBJRGOVHN-UHFFFAOYSA-N
MW425.49 g/mol
LogP4.42
Rot. Bonds10

About 3,4,5-triethoxy-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide

3,4,5-triethoxy-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 43973248) has the molecular formula C23H27N3O5 and a molecular weight of 425.49 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID43973248
Molecular FormulaC23H27N3O5
Molecular Weight425.49 g/mol
Exact Mass425.20
IUPAC Name3,4,5-triethoxy-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCOc1cc(C(=O)Nc2nnc(Cc3ccc(C)cc3)o2)cc(OCC)c1OCC
InChIInChI=1S/C23H27N3O5/c1-5-28-18-13-17(14-19(29-6-2)21(18)30-7-3)22(27)24-23-26-25-20(31-23)12-16-10-8-15(4)9-11-16/h8-11,13-14H,5-7,12H2,1-4H3,(H,24,26,27)
InChIKeyZOYYIMBJRGOVHN-UHFFFAOYSA-N
XLogP4.42
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 54.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(1,3-benzodioxol-5-ylmethyl)-1,3,4-oxadiazol-2-yl]-3,4,5-triethoxybenzamide
CID 41179166
methyl 4-[[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate
CID 43973208
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3,4,5-triethoxybenzamide
CID 43976750
4-benzyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16821677
3,4,5-triethoxy-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3522706
N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-propan-2-ylsulfanylbenzamide
CID 43973311
N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-3,5-dimethylbenzamide
CID 43975536
methyl 4-[[5-[(4-ethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]carbamoyl]benzoate
CID 43973752
4-ethoxy-N-[5-[(4-ethylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43975408
2-(4-methylphenyl)-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]acetamide
CID 43973334
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-3,4,5-triethoxybenzamide
CID 90603090
N-[5-[(2,4-dimethylphenyl)methyl]-1,3,4-oxadiazol-2-yl]-4-methylbenzamide
CID 16917667

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 3,4,5-triethoxy-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide (CID 43973248) is 3,4,5-triethoxy-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide is CCOc1cc(C(=O)Nc2nnc(Cc3ccc(C)cc3)o2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is ZOYYIMBJRGOVHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O5/c1-5-28-18-13-17(14-19(29-6-2)21(18)30-7-3)22(27)24-23-26-25-20(31-23)12-16-10-8-15(4)9-11-16/h8-11,13-14H,5-7,12H2,1-4H3,(H,24,26,27).
What are the key properties of 3,4,5-triethoxy-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide?
3,4,5-triethoxy-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 425.49 g/mol, XLogP of 4.42, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triethoxy-N-[5-[(4-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 43973248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).