2-[4-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide

C23H29N5O3 — CID 9435389

IUPAC2-[4-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cc(-c2nnc(CN3CCN(CC(=O)Nc4cccc(C)c4C)CC3)o2)c(C)o1
InChIInChI=1S/C23H29N5O3/c1-15-6-5-7-20(17(15)3)24-21(29)13-27-8-10-28(11-9-27)14-22-25-26-23(31-22)19-12-16(2)30-18(19)4/h5-7,12H,8-11,13-14H2,1-4H3,(H,24,29)
InChIKeyUPOGFHMEUPZCRA-UHFFFAOYSA-N
MW423.52 g/mol
LogP3.32
Rot. Bonds6

About 2-[4-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide

2-[4-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide (PubChem CID 9435389) has the molecular formula C23H29N5O3 and a molecular weight of 423.52 g/mol. Its IUPAC name is 2-[4-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide.

Molecular Properties

Compound Name2-[4-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
PubChem CID9435389
Molecular FormulaC23H29N5O3
Molecular Weight423.52 g/mol
Exact Mass423.23
IUPAC Name2-[4-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
SMILESCc1cc(-c2nnc(CN3CCN(CC(=O)Nc4cccc(C)c4C)CC3)o2)c(C)o1
InChIInChI=1S/C23H29N5O3/c1-15-6-5-7-20(17(15)3)24-21(29)13-27-8-10-28(11-9-27)14-22-25-26-23(31-22)19-12-16(2)30-18(19)4/h5-7,12H,8-11,13-14H2,1-4H3,(H,24,29)
InChIKeyUPOGFHMEUPZCRA-UHFFFAOYSA-N
XLogP3.32
TPSA87.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.52
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[4-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-N-(3-fluorophenyl)acetamide
CID 8711267
2-[4-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 30666212
N-(2,3-dimethylphenyl)-2-morpholin-4-ylacetamide
CID 755358
N-(2-chlorophenyl)-2-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetamide
CID 9434359
2-(2,5-dimethylfuran-3-yl)-5-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 9254230
3-[4-[2-(2,3-dimethylanilino)-2-oxoethyl]piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 30740971
N-(2,3-dimethylphenyl)-2-[4-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]acetamide
CID 30740204
N-(2,3-dimethylphenyl)-2-[4-[(5-methyl-1,3-thiazol-2-yl)methyl]piperazin-1-yl]acetamide
CID 126781490
2-[2,5-dimethyl-3-(5-methyl-1,3,4-oxadiazol-2-yl)pyrrol-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 53155219
2-[4-[2-(5-chloro-2-methylanilino)-2-oxoethyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 9435125
N-(2,3-dimethylphenyl)-2-(4-propanoylpiperazin-1-yl)acetamide
CID 27859826
N-(2,3-dimethylphenyl)-2-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]acetamide
CID 17407836

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide?
The IUPAC name of 2-[4-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide (CID 9435389) is 2-[4-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide.
What is the SMILES notation for 2-[4-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide?
The canonical SMILES for 2-[4-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide is Cc1cc(-c2nnc(CN3CCN(CC(=O)Nc4cccc(C)c4C)CC3)o2)c(C)o1.
What is the InChIKey of 2-[4-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide?
The InChIKey is UPOGFHMEUPZCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N5O3/c1-15-6-5-7-20(17(15)3)24-21(29)13-27-8-10-28(11-9-27)14-22-25-26-23(31-22)19-12-16(2)30-18(19)4/h5-7,12H,8-11,13-14H2,1-4H3,(H,24,29).
What are the key properties of 2-[4-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide?
2-[4-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide has a molecular weight of 423.52 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[5-(2,5-dimethylfuran-3-yl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-N-(2,3-dimethylphenyl)acetamide is sourced from PubChem (CID 9435389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).