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

C24H21N3O4 — CID 1311013

IUPAC2-(3,4-dimethoxyphenyl)-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1OC
InChIInChI=1S/C24H21N3O4/c1-29-20-12-11-16(13-21(20)30-2)14-22(28)25-19-10-6-9-18(15-19)24-27-26-23(31-24)17-7-4-3-5-8-17/h3-13,15H,14H2,1-2H3,(H,25,28)
InChIKeyJJBSYWNPWWUWIK-UHFFFAOYSA-N
MW415.45 g/mol
LogP4.60
Rot. Bonds7

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

2-(3,4-dimethoxyphenyl)-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide (PubChem CID 1311013) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
PubChem CID1311013
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1OC
InChIInChI=1S/C24H21N3O4/c1-29-20-12-11-16(13-21(20)30-2)14-22(28)25-19-10-6-9-18(15-19)24-27-26-23(31-24)17-7-4-3-5-8-17/h3-13,15H,14H2,1-2H3,(H,25,28)
InChIKeyJJBSYWNPWWUWIK-UHFFFAOYSA-N
XLogP4.60
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.45
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethoxy-N-{3-[N-(2-methyl-3-furoyl)ethanehydrazonoyl]phenyl}benzamide
CID 6005646
3-ethoxy-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 1311459
N-{3-[N-(1,3-benzodioxol-5-ylcarbonyl)ethanehydrazonoyl]phenyl}-2,2-dimethylpropanamide
CID 5455229
4-[({3-[5-(2-Furyl)-1,3,4-oxadiazol-2-yl]phenyl}amino)carbonyl]-2-methoxyphenyl acetate
CID 1299651
3-ethoxy-N-{3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl}benzamide
CID 1026625
3-methoxy-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 1230972
2-ethoxy-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 1293889
2-(4-methoxyphenyl)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
CID 1294322
2-(3,4-dimethoxyphenyl)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 1301263
2-(4-methylphenoxy)-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 1314628
2-(3,4-dimethoxyphenyl)-N-{3-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl}acetamide
CID 2233014
3-methoxy-N~1~-{2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl}benzamide
CID 5297584

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide (CID 1311013) is 2-(3,4-dimethoxyphenyl)-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide is COc1ccc(CC(=O)Nc2cccc(-c3nnc(-c4ccccc4)o3)c2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide?
The InChIKey is JJBSYWNPWWUWIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-29-20-12-11-16(13-21(20)30-2)14-22(28)25-19-10-6-9-18(15-19)24-27-26-23(31-24)17-7-4-3-5-8-17/h3-13,15H,14H2,1-2H3,(H,25,28).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide has a molecular weight of 415.45 g/mol, XLogP of 4.60, 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-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 1311013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).