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

C21H22FN3O5 — CID 3522706

IUPAC3,4,5-triethoxy-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCOc1cc(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)cc(OCC)c1OCC
InChIInChI=1S/C21H22FN3O5/c1-4-27-16-11-14(12-17(28-5-2)18(16)29-6-3)19(26)23-21-25-24-20(30-21)13-7-9-15(22)10-8-13/h7-12H,4-6H2,1-3H3,(H,23,25,26)
InChIKeyNEQBOYBGHKLDJW-UHFFFAOYSA-N
MW415.42 g/mol
LogP4.32
Rot. Bonds9

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

3,4,5-triethoxy-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 3522706) has the molecular formula C21H22FN3O5 and a molecular weight of 415.42 g/mol. Its IUPAC name is 3,4,5-triethoxy-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name3,4,5-triethoxy-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID3522706
Molecular FormulaC21H22FN3O5
Molecular Weight415.42 g/mol
Exact Mass415.15
IUPAC Name3,4,5-triethoxy-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCOc1cc(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)cc(OCC)c1OCC
InChIInChI=1S/C21H22FN3O5/c1-4-27-16-11-14(12-17(28-5-2)18(16)29-6-3)19(26)23-21-25-24-20(30-21)13-7-9-15(22)10-8-13/h7-12H,4-6H2,1-3H3,(H,23,25,26)
InChIKeyNEQBOYBGHKLDJW-UHFFFAOYSA-N
XLogP4.32
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.42
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3,4,5-triethoxybenzamide
CID 43976750
4-chloro-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16821630
4-benzyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16821677
N-[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]-3,4,5-triethoxybenzamide
CID 90603090
2-(4-fluorophenyl)sulfonyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 41151789
N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-phenylbenzamide
CID 43975859
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methylbenzamide
CID 4791318
N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 43975865
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide
CID 4638672
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-methoxybenzamide
CID 43975608
4-ethoxy-N-[5-(4-methylsulfanylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7578105
N-[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide
CID 7655505

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triethoxy-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 3,4,5-triethoxy-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 3522706) is 3,4,5-triethoxy-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 3,4,5-triethoxy-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 3,4,5-triethoxy-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide is CCOc1cc(C(=O)Nc2nnc(-c3ccc(F)cc3)o2)cc(OCC)c1OCC.
What is the InChIKey of 3,4,5-triethoxy-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is NEQBOYBGHKLDJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O5/c1-4-27-16-11-14(12-17(28-5-2)18(16)29-6-3)19(26)23-21-25-24-20(30-21)13-7-9-15(22)10-8-13/h7-12H,4-6H2,1-3H3,(H,23,25,26).
What are the key properties of 3,4,5-triethoxy-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide?
3,4,5-triethoxy-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 415.42 g/mol, XLogP of 4.32, 9 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-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 3522706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).