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

C22H32N4O4 — CID 47506456

IUPAC2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
SMILESCCCCc1nc(-c2ccc(OCC(=O)NCC(C)(C)N3CCOCC3)cc2)no1
InChIInChI=1S/C22H32N4O4/c1-4-5-6-20-24-21(25-30-20)17-7-9-18(10-8-17)29-15-19(27)23-16-22(2,3)26-11-13-28-14-12-26/h7-10H,4-6,11-16H2,1-3H3,(H,23,27)
InChIKeyOUAONMIEBACVHR-UHFFFAOYSA-N
MW416.52 g/mol
LogP2.68
Rot. Bonds10

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

2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide (PubChem CID 47506456) has the molecular formula C22H32N4O4 and a molecular weight of 416.52 g/mol. Its IUPAC name is 2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide.

Molecular Properties

Compound Name2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
PubChem CID47506456
Molecular FormulaC22H32N4O4
Molecular Weight416.52 g/mol
Exact Mass416.24
IUPAC Name2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide
SMILESCCCCc1nc(-c2ccc(OCC(=O)NCC(C)(C)N3CCOCC3)cc2)no1
InChIInChI=1S/C22H32N4O4/c1-4-5-6-20-24-21(25-30-20)17-7-9-18(10-8-17)29-15-19(27)23-16-22(2,3)26-11-13-28-14-12-26/h7-10H,4-6,11-16H2,1-3H3,(H,23,27)
InChIKeyOUAONMIEBACVHR-UHFFFAOYSA-N
XLogP2.68
TPSA89.72 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.52
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide with MolForge

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Related Compounds

1-(azepan-1-yl)-2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]ethanone
CID 60585567
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-2-piperidin-1-ylpropyl)propanamide
CID 51313176
3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
CID 134018961
N-(2-acetylphenyl)-2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]acetamide
CID 60585376
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2-morpholin-4-ylethyl)propanamide
CID 43067273
N-(2-methyl-2-morpholin-4-ylpropyl)-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propanamide
CID 51238653
3-[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(2,2,2-trifluoroethyl)propanamide
CID 37266459
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(4-morpholin-4-ylbutyl)propanamide
CID 55742496
2-[[2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]acetyl]-methylamino]-N-(4-methylphenyl)acetamide
CID 60585353
2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-methyl-N-[(2-methylphenyl)methyl]acetamide
CID 60585503
2-(4-iodophenoxy)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 30155404
2-(4-chlorophenoxy)-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
CID 2990154

Frequently Asked Questions

What is the IUPAC name of 2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The IUPAC name of 2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide (CID 47506456) is 2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide.
What is the SMILES notation for 2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The canonical SMILES for 2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide is CCCCc1nc(-c2ccc(OCC(=O)NCC(C)(C)N3CCOCC3)cc2)no1.
What is the InChIKey of 2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
The InChIKey is OUAONMIEBACVHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N4O4/c1-4-5-6-20-24-21(25-30-20)17-7-9-18(10-8-17)29-15-19(27)23-16-22(2,3)26-11-13-28-14-12-26/h7-10H,4-6,11-16H2,1-3H3,(H,23,27).
What are the key properties of 2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide?
2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide has a molecular weight of 416.52 g/mol, XLogP of 2.68, 10 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(5-butyl-1,2,4-oxadiazol-3-yl)phenoxy]-N-(2-methyl-2-morpholin-4-ylpropyl)acetamide is sourced from PubChem (CID 47506456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).