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

C24H21N3O4 — CID 1301263

IUPAC2-(3,4-dimethoxyphenyl)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1OC
InChIInChI=1S/C24H21N3O4/c1-29-20-13-8-16(14-21(20)30-2)15-22(28)25-19-11-9-18(10-12-19)24-27-26-23(31-24)17-6-4-3-5-7-17/h3-14H,15H2,1-2H3,(H,25,28)
InChIKeyDECYMJQROJXZMG-UHFFFAOYSA-N
MW415.45 g/mol
LogP4.60
Rot. Bonds7

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

2-(3,4-dimethoxyphenyl)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide (PubChem CID 1301263) has the molecular formula C24H21N3O4 and a molecular weight of 415.45 g/mol. Its IUPAC name is 2-(3,4-dimethoxyphenyl)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide.

Molecular Properties

Compound Name2-(3,4-dimethoxyphenyl)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
PubChem CID1301263
Molecular FormulaC24H21N3O4
Molecular Weight415.45 g/mol
Exact Mass415.15
IUPAC Name2-(3,4-dimethoxyphenyl)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
SMILESCOc1ccc(CC(=O)Nc2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1OC
InChIInChI=1S/C24H21N3O4/c1-29-20-13-8-16(14-21(20)30-2)15-22(28)25-19-11-9-18(10-12-19)24-27-26-23(31-24)17-6-4-3-5-7-17/h3-14H,15H2,1-2H3,(H,25,28)
InChIKeyDECYMJQROJXZMG-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

4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline
CID 743142
4-(2-{[5-(3,4,5-Trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl}acetamido)benzoic acid
CID 2392265
3-ethoxy-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 1311459
N-[4-(5-Furan-2-yl-[1,3,4]oxadiazol-2-yl)-phenyl]-3,4,5-trimethoxy-benzamide
CID 1120379
N-(4-(5-(furan-2-yl)-1,3,4-oxadiazol-2-yl)phenyl)-2-(2-methoxyphenoxy)acetamide
CID 1167557
3-methoxy-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]benzamide
CID 1230972
2-(4-methoxyphenyl)-N-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]acetamide
CID 1294322
N-[4-({[2-(3,4-dimethoxyphenyl)ethyl]amino}carbonyl)phenyl]-4-methoxybenzamide
CID 1300194
2-(3,4-dimethoxyphenyl)-N-[3-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide
CID 1311013
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
2-ethyl-N-{4-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]phenyl}butanamide
CID 9349769

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide?
The IUPAC name of 2-(3,4-dimethoxyphenyl)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide (CID 1301263) is 2-(3,4-dimethoxyphenyl)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide.
What is the SMILES notation for 2-(3,4-dimethoxyphenyl)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide?
The canonical SMILES for 2-(3,4-dimethoxyphenyl)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide is COc1ccc(CC(=O)Nc2ccc(-c3nnc(-c4ccccc4)o3)cc2)cc1OC.
What is the InChIKey of 2-(3,4-dimethoxyphenyl)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide?
The InChIKey is DECYMJQROJXZMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O4/c1-29-20-13-8-16(14-21(20)30-2)15-22(28)25-19-11-9-18(10-12-19)24-27-26-23(31-24)17-6-4-3-5-7-17/h3-14H,15H2,1-2H3,(H,25,28).
What are the key properties of 2-(3,4-dimethoxyphenyl)-N-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide?
2-(3,4-dimethoxyphenyl)-N-[4-(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-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)phenyl]acetamide is sourced from PubChem (CID 1301263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).