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

C18H24N6O5 — CID 55432550

IUPACN-(2-methoxyethyl)-2-[4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide
SMILESCOCCNC(=O)CN1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1
InChIInChI=1S/C18H24N6O5/c1-28-11-6-19-16(25)12-22-7-9-23(10-8-22)13-17-20-21-18(29-17)14-2-4-15(5-3-14)24(26)27/h2-5H,6-13H2,1H3,(H,19,25)
InChIKeyAGBTXXQQILCFAJ-UHFFFAOYSA-N
MW404.43 g/mol
LogP0.52
Rot. Bonds9

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

N-(2-methoxyethyl)-2-[4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide (PubChem CID 55432550) has the molecular formula C18H24N6O5 and a molecular weight of 404.43 g/mol. Its IUPAC name is N-(2-methoxyethyl)-2-[4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyethyl)-2-[4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide
PubChem CID55432550
Molecular FormulaC18H24N6O5
Molecular Weight404.43 g/mol
Exact Mass404.18
IUPAC NameN-(2-methoxyethyl)-2-[4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide
SMILESCOCCNC(=O)CN1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1
InChIInChI=1S/C18H24N6O5/c1-28-11-6-19-16(25)12-22-7-9-23(10-8-22)13-17-20-21-18(29-17)14-2-4-15(5-3-14)24(26)27/h2-5H,6-13H2,1H3,(H,19,25)
InChIKeyAGBTXXQQILCFAJ-UHFFFAOYSA-N
XLogP0.52
TPSA126.87 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 50.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-(2-ethylphenyl)-2-[4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide
CID 55364718
2-[(4-methylsulfonylpiperazin-1-yl)methyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole
CID 31872518
3-(2-methoxyethyl)-1-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-propan-2-ylthiourea
CID 9094997
[4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-(4-propan-2-ylphenyl)methanone
CID 30803811
N-benzyl-2-[4-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide
CID 33202572
2-(4-nitrophenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 4969248
2-[4-[1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-N-prop-2-enylacetamide
CID 55470939
N-phenyl-2-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetamide
CID 31691706
2-amino-N-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]acetamide
CID 134144171
N-(2-methoxyethyl)-2-[3-[5-[(4-methylpiperidin-1-yl)methyl]-1,3,4-oxadiazol-2-yl]indol-1-yl]acetamide
CID 46385237
[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl 4-(2-methoxyethylamino)-3-nitrobenzoate
CID 55403913
2-(4-fluorophenyl)-5-[[4-(2-methyl-5-nitrophenyl)sulfonylpiperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 27178275

Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyethyl)-2-[4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide?
The IUPAC name of N-(2-methoxyethyl)-2-[4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide (CID 55432550) is N-(2-methoxyethyl)-2-[4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxyethyl)-2-[4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide?
The canonical SMILES for N-(2-methoxyethyl)-2-[4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide is COCCNC(=O)CN1CCN(Cc2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1.
What is the InChIKey of N-(2-methoxyethyl)-2-[4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide?
The InChIKey is AGBTXXQQILCFAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O5/c1-28-11-6-19-16(25)12-22-7-9-23(10-8-22)13-17-20-21-18(29-17)14-2-4-15(5-3-14)24(26)27/h2-5H,6-13H2,1H3,(H,19,25).
What are the key properties of N-(2-methoxyethyl)-2-[4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide?
N-(2-methoxyethyl)-2-[4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide has a molecular weight of 404.43 g/mol, XLogP of 0.52, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyethyl)-2-[4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide is sourced from PubChem (CID 55432550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).