2-(3,4-dimethoxyphenyl)-N-[3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide

C25H23N3O4 — CID 71497244

IUPAC2-(3,4-dimethoxyphenyl)-N-[3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2cccc(-c3noc(-c4ccc(C)cc4)n3)c2)cc1OC
InChIInChI=1S/C25H23N3O4/c1-16-7-10-18(11-8-16)25-27-24(28-32-25)19-5-4-6-20(15-19)26-23(29)14-17-9-12-21(30-2)22(13-17)31-3/h4-13,15H,14H2,1-3H3,(H,26,29)
InChIKeyXVWHQONQYLXWQL-UHFFFAOYSA-N
MW429.48 g/mol
LogP4.91
Rot. Bonds7

About 2-(3,4-dimethoxyphenyl)-N-[3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide

2-(3,4-dimethoxyphenyl)-N-[3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide (PubChem CID 71497244) has the molecular formula C25H23N3O4 and a molecular weight of 429.48 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
PubChem CID71497244
Molecular FormulaC25H23N3O4
Molecular Weight429.48 g/mol
Exact Mass429.17
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2cccc(-c3noc(-c4ccc(C)cc4)n3)c2)cc1OC
InChIInChI=1S/C25H23N3O4/c1-16-7-10-18(11-8-16)25-27-24(28-32-25)19-5-4-6-20(15-19)26-23(29)14-17-9-12-21(30-2)22(13-17)31-3/h4-13,15H,14H2,1-3H3,(H,26,29)
InChIKeyXVWHQONQYLXWQL-UHFFFAOYSA-N
XLogP4.91
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dimethoxyphenyl)-N-[3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
CID 2233014
2-(4-fluorophenyl)-N-[3-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 35521872
N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 35521878
2-[2-methoxy-4-(5-phenyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-(4-methylphenyl)acetamide
CID 46267171
2-(4-methoxyphenyl)-N-[3-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 4912727
2-(3,4-dimethoxyphenyl)-N-[3-(2H-tetrazol-5-yl)phenyl]acetamide
CID 110743282
N-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 53013476
N-(3,4-dimethoxyphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50829226
2-(4-fluorophenyl)-N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 39854255
N-(3-methoxyphenyl)-2-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 46266536
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
CID 50838999
3,4-dimethoxy-N-[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]benzamide
CID 46266966

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide (CID 71497244) is 2-(3,4-dimethoxyphenyl)-N-[3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide is COc1ccc(CC(=O)Nc2cccc(-c3noc(-c4ccc(C)cc4)n3)c2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
The InChIKey is XVWHQONQYLXWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O4/c1-16-7-10-18(11-8-16)25-27-24(28-32-25)19-5-4-6-20(15-19)26-23(29)14-17-9-12-21(30-2)22(13-17)31-3/h4-13,15H,14H2,1-3H3,(H,26,29).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide has a molecular weight of 429.48 g/mol, XLogP of 4.91, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-dimethoxyphenyl)-N-[3-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide is sourced from PubChem (CID 71497244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).