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

C21H22ClN3O5 — CID 16821630

IUPAC4-chloro-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCOc1cc(-c2nnc(NC(=O)c3ccc(Cl)cc3)o2)cc(OCC)c1OCC
InChIInChI=1S/C21H22ClN3O5/c1-4-27-16-11-14(12-17(28-5-2)18(16)29-6-3)20-24-25-21(30-20)23-19(26)13-7-9-15(22)10-8-13/h7-12H,4-6H2,1-3H3,(H,23,25,26)
InChIKeyLPHFUCXPRYNYNU-UHFFFAOYSA-N
MW431.88 g/mol
LogP4.84
Rot. Bonds9

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

4-chloro-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 16821630) has the molecular formula C21H22ClN3O5 and a molecular weight of 431.88 g/mol. Its IUPAC name is 4-chloro-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
PubChem CID16821630
Molecular FormulaC21H22ClN3O5
Molecular Weight431.88 g/mol
Exact Mass431.12
IUPAC Name4-chloro-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
SMILESCCOc1cc(-c2nnc(NC(=O)c3ccc(Cl)cc3)o2)cc(OCC)c1OCC
InChIInChI=1S/C21H22ClN3O5/c1-4-27-16-11-14(12-17(28-5-2)18(16)29-6-3)20-24-25-21(30-20)23-19(26)13-7-9-15(22)10-8-13/h7-12H,4-6H2,1-3H3,(H,23,25,26)
InChIKeyLPHFUCXPRYNYNU-UHFFFAOYSA-N
XLogP4.84
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.88
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-benzyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16821677
N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3,4,5-triethoxybenzamide
CID 43976750
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide
CID 5121950
2-(4-chlorophenyl)sulfonyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 41151452
3,4,5-triethoxy-N-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 3522706
N-[5-(3,4-diethoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-phenylbenzamide
CID 43975859
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
N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide
CID 16854371
4-(2,6-dimethylmorpholin-4-yl)sulfonyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4992936
4-[benzyl(propan-2-yl)sulfamoyl]-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4228503

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide (CID 16821630) is 4-chloro-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide is CCOc1cc(-c2nnc(NC(=O)c3ccc(Cl)cc3)o2)cc(OCC)c1OCC.
What is the InChIKey of 4-chloro-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
The InChIKey is LPHFUCXPRYNYNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O5/c1-4-27-16-11-14(12-17(28-5-2)18(16)29-6-3)20-24-25-21(30-20)23-19(26)13-7-9-15(22)10-8-13/h7-12H,4-6H2,1-3H3,(H,23,25,26).
What are the key properties of 4-chloro-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide?
4-chloro-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 431.88 g/mol, XLogP of 4.84, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 16821630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).