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

C23H19N3O3 — CID 50747785

IUPACN-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenylacetamide
SMILESCOc1ccc(-c2noc(-c3ccc(NC(=O)Cc4ccccc4)cc3)n2)cc1
InChIInChI=1S/C23H19N3O3/c1-28-20-13-9-17(10-14-20)22-25-23(29-26-22)18-7-11-19(12-8-18)24-21(27)15-16-5-3-2-4-6-16/h2-14H,15H2,1H3,(H,24,27)
InChIKeySBGTUXINZOHDJJ-UHFFFAOYSA-N
MW385.42 g/mol
LogP4.59
Rot. Bonds6

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

N-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenylacetamide (PubChem CID 50747785) has the molecular formula C23H19N3O3 and a molecular weight of 385.42 g/mol. Its IUPAC name is N-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenylacetamide.

Molecular Properties

Compound NameN-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenylacetamide
PubChem CID50747785
Molecular FormulaC23H19N3O3
Molecular Weight385.42 g/mol
Exact Mass385.14
IUPAC NameN-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenylacetamide
SMILESCOc1ccc(-c2noc(-c3ccc(NC(=O)Cc4ccccc4)cc3)n2)cc1
InChIInChI=1S/C23H19N3O3/c1-28-20-13-9-17(10-14-20)22-25-23(29-26-22)18-7-11-19(12-8-18)24-21(27)15-16-5-3-2-4-6-16/h2-14H,15H2,1H3,(H,24,27)
InChIKeySBGTUXINZOHDJJ-UHFFFAOYSA-N
XLogP4.59
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-methoxyphenyl)-N-[4-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 3425643
N-(4-methoxyphenyl)-4-(3-phenyl-1,2,4-oxadiazol-5-yl)benzamide
CID 50829238
N-(4-methoxyphenyl)-2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 25237937
N-[4-[5-(4-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(2-methoxyphenyl)acetamide
CID 1291267
2-(4-methoxyphenyl)-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 4901930
N-(4-methoxyphenyl)-2-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46266503
4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-N-phenylaniline
CID 155374553
2-[2-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenoxy]-N-phenylacetamide
CID 45032585
2-(4-chlorophenyl)-N-[2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 30332574
N-[(4-methoxyphenyl)methyl]-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 25238050
N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2-(4-methoxyphenyl)acetamide
CID 35521878
1-butan-2-yl-3-[4-[5-(4-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]urea
CID 50778382

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenylacetamide?
The IUPAC name of N-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenylacetamide (CID 50747785) is N-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenylacetamide.
What is the SMILES notation for N-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenylacetamide?
The canonical SMILES for N-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenylacetamide is COc1ccc(-c2noc(-c3ccc(NC(=O)Cc4ccccc4)cc3)n2)cc1.
What is the InChIKey of N-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenylacetamide?
The InChIKey is SBGTUXINZOHDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N3O3/c1-28-20-13-9-17(10-14-20)22-25-23(29-26-22)18-7-11-19(12-8-18)24-21(27)15-16-5-3-2-4-6-16/h2-14H,15H2,1H3,(H,24,27).
What are the key properties of N-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenylacetamide?
N-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenylacetamide has a molecular weight of 385.42 g/mol, XLogP of 4.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-phenylacetamide is sourced from PubChem (CID 50747785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).