3,5-dimethoxy-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide

C24H21N3O5 — CID 46266946

IUPAC3,5-dimethoxy-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
SMILESCOc1ccc(-c2noc(-c3cccc(NC(=O)c4cc(OC)cc(OC)c4)c3)n2)cc1
InChIInChI=1S/C24H21N3O5/c1-29-19-9-7-15(8-10-19)22-26-24(32-27-22)16-5-4-6-18(11-16)25-23(28)17-12-20(30-2)14-21(13-17)31-3/h4-14H,1-3H3,(H,25,28)
InChIKeyCPFZXACESMFKAN-UHFFFAOYSA-N
MW431.45 g/mol
LogP4.68
Rot. Bonds7

About 3,5-dimethoxy-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide

3,5-dimethoxy-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide (PubChem CID 46266946) has the molecular formula C24H21N3O5 and a molecular weight of 431.45 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
PubChem CID46266946
Molecular FormulaC24H21N3O5
Molecular Weight431.45 g/mol
Exact Mass431.15
IUPAC Name3,5-dimethoxy-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
SMILESCOc1ccc(-c2noc(-c3cccc(NC(=O)c4cc(OC)cc(OC)c4)c3)n2)cc1
InChIInChI=1S/C24H21N3O5/c1-29-19-9-7-15(8-10-19)22-26-24(32-27-22)16-5-4-6-18(11-16)25-23(28)17-12-20(30-2)14-21(13-17)31-3/h4-14H,1-3H3,(H,25,28)
InChIKeyCPFZXACESMFKAN-UHFFFAOYSA-N
XLogP4.68
TPSA95.71 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 54.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-fluoro-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 46266948
N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2,2-dimethylpropanamide
CID 20896103
3-methoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 46266964
2-ethoxy-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide
CID 46266949
N-(4-methoxyphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50829238
3,5-dimethoxy-N-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 110725637
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]benzoic acid
CID 44621438
N-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 53013476
N-(3-methoxyphenyl)-2-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 665357
N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 35521878
3-(4-methoxyphenyl)-5-(3-propan-2-yloxyphenyl)-1,2,4-oxadiazole
CID 8779241
N-(3,4-dimethoxyphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50829226

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide (CID 46266946) is 3,5-dimethoxy-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide is COc1ccc(-c2noc(-c3cccc(NC(=O)c4cc(OC)cc(OC)c4)c3)n2)cc1.
What is the InChIKey of 3,5-dimethoxy-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide?
The InChIKey is CPFZXACESMFKAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O5/c1-29-19-9-7-15(8-10-19)22-26-24(32-27-22)16-5-4-6-18(11-16)25-23(28)17-12-20(30-2)14-21(13-17)31-3/h4-14H,1-3H3,(H,25,28).
What are the key properties of 3,5-dimethoxy-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide?
3,5-dimethoxy-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide has a molecular weight of 431.45 g/mol, XLogP of 4.68, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]benzamide is sourced from PubChem (CID 46266946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).