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

C21H24N4O3 — CID 90543337

IUPACN-(3,4-dimethylphenyl)-2-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2CCC(c3nnc(-c4ccoc4)o3)CC2)cc1C
InChIInChI=1S/C21H24N4O3/c1-14-3-4-18(11-15(14)2)22-19(26)12-25-8-5-16(6-9-25)20-23-24-21(28-20)17-7-10-27-13-17/h3-4,7,10-11,13,16H,5-6,8-9,12H2,1-2H3,(H,22,26)
InChIKeyQJKIZPLCMULLME-UHFFFAOYSA-N
MW380.45 g/mol
LogP3.76
Rot. Bonds5

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

N-(3,4-dimethylphenyl)-2-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide (PubChem CID 90543337) has the molecular formula C21H24N4O3 and a molecular weight of 380.45 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
PubChem CID90543337
Molecular FormulaC21H24N4O3
Molecular Weight380.45 g/mol
Exact Mass380.18
IUPAC NameN-(3,4-dimethylphenyl)-2-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
SMILESCc1ccc(NC(=O)CN2CCC(c3nnc(-c4ccoc4)o3)CC2)cc1C
InChIInChI=1S/C21H24N4O3/c1-14-3-4-18(11-15(14)2)22-19(26)12-25-8-5-16(6-9-25)20-23-24-21(28-20)17-7-10-27-13-17/h3-4,7,10-11,13,16H,5-6,8-9,12H2,1-2H3,(H,22,26)
InChIKeyQJKIZPLCMULLME-UHFFFAOYSA-N
XLogP3.76
TPSA84.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.45
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3,4-dimethylphenyl)-2-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 90543276
N-(4-cyanophenyl)-2-[4-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide
CID 121116680
2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-N-(2,4,6-trimethylphenyl)acetamide
CID 121116733
N-(4-ethoxyphenyl)-2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide
CID 121116741
2-[4-(5-thiophen-3-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 121116748
2-(azepan-1-yl)-N-(3,4-dimethylphenyl)acetamide
CID 8895959
N-(3,4-dimethylphenyl)-2-(3-hydroxy-4-methylpiperidin-1-yl)acetamide
CID 103898555
N-cyclopropyl-1-[2-(3,4-dimethylanilino)-2-oxoethyl]piperidine-4-carboxamide
CID 16909883
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
N-(3-chloro-4-fluorophenyl)-2-[4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]acetamide
CID 121116640
2-[1-(2,4-dimethylphenyl)sulfonylpiperidin-4-yl]-5-(furan-3-yl)-1,3,4-oxadiazole
CID 90543462

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethylphenyl)-2-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide (CID 90543337) is N-(3,4-dimethylphenyl)-2-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide is Cc1ccc(NC(=O)CN2CCC(c3nnc(-c4ccoc4)o3)CC2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
The InChIKey is QJKIZPLCMULLME-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3/c1-14-3-4-18(11-15(14)2)22-19(26)12-25-8-5-16(6-9-25)20-23-24-21(28-20)17-7-10-27-13-17/h3-4,7,10-11,13,16H,5-6,8-9,12H2,1-2H3,(H,22,26).
What are the key properties of N-(3,4-dimethylphenyl)-2-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide?
N-(3,4-dimethylphenyl)-2-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide has a molecular weight of 380.45 g/mol, XLogP of 3.76, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[4-[5-(furan-3-yl)-1,3,4-oxadiazol-2-yl]piperidin-1-yl]acetamide is sourced from PubChem (CID 90543337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).