2-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide

C22H26N4O3 — CID 90543276

IUPAC2-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN2CCC(c3nnc(-c4ccoc4)o3)CC2)c(C)c1
InChIInChI=1S/C22H26N4O3/c1-14-10-15(2)20(16(3)11-14)23-19(27)12-26-7-4-17(5-8-26)21-24-25-22(29-21)18-6-9-28-13-18/h6,9-11,13,17H,4-5,7-8,12H2,1-3H3,(H,23,27)
InChIKeyPVKJCHIYJPTQNX-UHFFFAOYSA-N
MW394.48 g/mol
LogP4.07
Rot. Bonds5

About 2-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide

2-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 90543276) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID90543276
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name2-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)CN2CCC(c3nnc(-c4ccoc4)o3)CC2)c(C)c1
InChIInChI=1S/C22H26N4O3/c1-14-10-15(2)20(16(3)11-14)23-19(27)12-26-7-4-17(5-8-26)21-24-25-22(29-21)18-6-9-28-13-18/h6,9-11,13,17H,4-5,7-8,12H2,1-3H3,(H,23,27)
InChIKeyPVKJCHIYJPTQNX-UHFFFAOYSA-N
XLogP4.07
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethylphenyl)-2-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
CID 90543337
2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 121116733
2-[4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 53152362
2-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-5-(furan-3-yl)-1,3,4-oxadiazole
CID 90543462
4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]-N-propan-2-ylpiperidine-1-carboxamide
CID 90543429
2-[4-(methylaminomethyl)piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 119922259
methyl 2-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetate
CID 71227279
(4-ethoxyphenyl)-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90543080
2-[16-[2-oxo-2-(2,4,6-trimethylanilino)ethyl]-1,4,10,13-tetraoxa-7,16-diazacyclooctadec-7-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 3090863
[3-(dimethylamino)phenyl]-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]methanone
CID 90543217
N-(4-cyanophenyl)-2-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
CID 121116680
N-(2-chlorophenyl)-4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidine-1-carboxamide
CID 90543437

Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide (CID 90543276) is 2-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)CN2CCC(c3nnc(-c4ccoc4)o3)CC2)c(C)c1.
What is the InChIKey of 2-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is PVKJCHIYJPTQNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-14-10-15(2)20(16(3)11-14)23-19(27)12-26-7-4-17(5-8-26)21-24-25-22(29-21)18-6-9-28-13-18/h6,9-11,13,17H,4-5,7-8,12H2,1-3H3,(H,23,27).
What are the key properties of 2-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide?
2-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 394.48 g/mol, XLogP of 4.07, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 90543276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).