N-(2-acetylphenyl)-2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide

C22H23N3O4 — CID 60585376

IUPACN-(2-acetylphenyl)-2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
SMILESCCCCc1nc(-c2ccc(OCC(=O)Nc3ccccc3C(C)=O)cc2)no1
InChIInChI=1S/C22H23N3O4/c1-3-4-9-21-24-22(25-29-21)16-10-12-17(13-11-16)28-14-20(27)23-19-8-6-5-7-18(19)15(2)26/h5-8,10-13H,3-4,9,14H2,1-2H3,(H,23,27)
InChIKeyPHXGGVSICKYQAN-UHFFFAOYSA-N
MW393.44 g/mol
LogP4.30
Rot. Bonds9

About N-(2-acetylphenyl)-2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide

N-(2-acetylphenyl)-2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide (PubChem CID 60585376) has the molecular formula C22H23N3O4 and a molecular weight of 393.44 g/mol. Its IUPAC name is N-(2-acetylphenyl)-2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide.

Molecular Properties

Compound NameN-(2-acetylphenyl)-2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
PubChem CID60585376
Molecular FormulaC22H23N3O4
Molecular Weight393.44 g/mol
Exact Mass393.17
IUPAC NameN-(2-acetylphenyl)-2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
SMILESCCCCc1nc(-c2ccc(OCC(=O)Nc3ccccc3C(C)=O)cc2)no1
InChIInChI=1S/C22H23N3O4/c1-3-4-9-21-24-22(25-29-21)16-10-12-17(13-11-16)28-14-20(27)23-19-8-6-5-7-18(19)15(2)26/h5-8,10-13H,3-4,9,14H2,1-2H3,(H,23,27)
InChIKeyPHXGGVSICKYQAN-UHFFFAOYSA-N
XLogP4.30
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.44
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylphenyl)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46266748
N-(2-methylphenyl)-2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 25237779
2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 60585503
2-[[2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]acetyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 60585353
1-(azepan-1-yl)-2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]ethanone
CID 60585567
2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
CID 47506456
N-(2-ethylphenyl)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 20851576
N-[2-(4-ethoxyphenoxy)phenyl]-3-(3-phenyl-1,2,4-oxadiazol-5-yl)propanamide
CID 18198211
2-phenoxy-N-[2-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]acetamide
CID 4896404
N-(2-methoxyphenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 3160338
N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]-4-(3-phenyl-1,2,4-oxadiazol-5-yl)butanamide
CID 71296571
N-butyl-2-[[2-(4-methoxyphenoxy)acetyl]amino]benzamide
CID 17149354

Frequently Asked Questions

What is the IUPAC name of N-(2-acetylphenyl)-2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide?
The IUPAC name of N-(2-acetylphenyl)-2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide (CID 60585376) is N-(2-acetylphenyl)-2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide.
What is the SMILES notation for N-(2-acetylphenyl)-2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide?
The canonical SMILES for N-(2-acetylphenyl)-2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide is CCCCc1nc(-c2ccc(OCC(=O)Nc3ccccc3C(C)=O)cc2)no1.
What is the InChIKey of N-(2-acetylphenyl)-2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide?
The InChIKey is PHXGGVSICKYQAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4/c1-3-4-9-21-24-22(25-29-21)16-10-12-17(13-11-16)28-14-20(27)23-19-8-6-5-7-18(19)15(2)26/h5-8,10-13H,3-4,9,14H2,1-2H3,(H,23,27).
What are the key properties of N-(2-acetylphenyl)-2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide?
N-(2-acetylphenyl)-2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide has a molecular weight of 393.44 g/mol, XLogP of 4.30, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetylphenyl)-2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide is sourced from PubChem (CID 60585376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).