2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(4-morpholin-4-ylphenyl)acetamide

C27H26N4O4 — CID 25238319

IUPAC2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4ccc(N5CCOCC5)cc4)cc3)n2)cc1
InChIInChI=1S/C27H26N4O4/c1-19-2-4-20(5-3-19)26-29-27(35-30-26)21-6-12-24(13-7-21)34-18-25(32)28-22-8-10-23(11-9-22)31-14-16-33-17-15-31/h2-13H,14-18H2,1H3,(H,28,32)
InChIKeyIOBAMFLTHVOALL-UHFFFAOYSA-N
MW470.53 g/mol
LogP4.57
Rot. Bonds7

About 2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(4-morpholin-4-ylphenyl)acetamide

2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(4-morpholin-4-ylphenyl)acetamide (PubChem CID 25238319) has the molecular formula C27H26N4O4 and a molecular weight of 470.53 g/mol. Its IUPAC name is 2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(4-morpholin-4-ylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(4-morpholin-4-ylphenyl)acetamide
PubChem CID25238319
Molecular FormulaC27H26N4O4
Molecular Weight470.53 g/mol
Exact Mass470.20
IUPAC Name2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(4-morpholin-4-ylphenyl)acetamide
SMILESCc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4ccc(N5CCOCC5)cc4)cc3)n2)cc1
InChIInChI=1S/C27H26N4O4/c1-19-2-4-20(5-3-19)26-29-27(35-30-26)21-6-12-24(13-7-21)34-18-25(32)28-22-8-10-23(11-9-22)31-14-16-33-17-15-31/h2-13H,14-18H2,1H3,(H,28,32)
InChIKeyIOBAMFLTHVOALL-UHFFFAOYSA-N
XLogP4.57
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.53
LogP ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-(4-methylphenoxy)acetamide
CID 39866946
N-(4-methoxyphenyl)-2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 25237937
N-(3,4-dimethylphenyl)-2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 25237785
1,4-dioxane;tetrakis(2-(4-methylphenoxy)-N-[3-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide)
CID 175653207
4-[4-[5-(4-methylphenyl)-1,2,4-oxadiazol-3-yl]phenyl]morpholine
CID 50769427
2-(4-methylphenoxy)-N-[4-(6-morpholin-4-ylpyridazin-3-yl)phenyl]acetamide
CID 43992749
N-(4-morpholin-4-ylphenyl)-2-phenoxyacetamide
CID 675127
4-(3-methyl-1,2,4-oxadiazol-5-yl)-N-(4-morpholin-4-ylphenyl)benzamide
CID 36867179
N-(2-methylphenyl)-2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 25237779
N-(4-morpholin-4-ylphenyl)-2-(4-propylphenoxy)acetamide
CID 987715
2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(3-methylphenyl)acetamide
CID 25237944
N-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]phenyl]-2-(4-fluorophenoxy)acetamide
CID 39866944

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(4-morpholin-4-ylphenyl)acetamide?
The IUPAC name of 2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(4-morpholin-4-ylphenyl)acetamide (CID 25238319) is 2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(4-morpholin-4-ylphenyl)acetamide.
What is the SMILES notation for 2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(4-morpholin-4-ylphenyl)acetamide?
The canonical SMILES for 2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(4-morpholin-4-ylphenyl)acetamide is Cc1ccc(-c2noc(-c3ccc(OCC(=O)Nc4ccc(N5CCOCC5)cc4)cc3)n2)cc1.
What is the InChIKey of 2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(4-morpholin-4-ylphenyl)acetamide?
The InChIKey is IOBAMFLTHVOALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N4O4/c1-19-2-4-20(5-3-19)26-29-27(35-30-26)21-6-12-24(13-7-21)34-18-25(32)28-22-8-10-23(11-9-22)31-14-16-33-17-15-31/h2-13H,14-18H2,1H3,(H,28,32).
What are the key properties of 2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(4-morpholin-4-ylphenyl)acetamide?
2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(4-morpholin-4-ylphenyl)acetamide has a molecular weight of 470.53 g/mol, XLogP of 4.57, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]-N-(4-morpholin-4-ylphenyl)acetamide is sourced from PubChem (CID 25238319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).