2-[4-[1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-N-prop-2-enylacetamide

C19H24N6O4 — CID 55470939

IUPAC2-[4-[1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCN(C(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1
InChIInChI=1S/C19H24N6O4/c1-3-8-20-17(26)13-23-9-11-24(12-10-23)14(2)18-21-22-19(29-18)15-4-6-16(7-5-15)25(27)28/h3-7,14H,1,8-13H2,2H3,(H,20,26)
InChIKeyUFOMROSYABOYGY-UHFFFAOYSA-N
MW400.44 g/mol
LogP1.63
Rot. Bonds8

About 2-[4-[1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-N-prop-2-enylacetamide

2-[4-[1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-N-prop-2-enylacetamide (PubChem CID 55470939) has the molecular formula C19H24N6O4 and a molecular weight of 400.44 g/mol. Its IUPAC name is 2-[4-[1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-N-prop-2-enylacetamide.

Molecular Properties

Compound Name2-[4-[1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-N-prop-2-enylacetamide
PubChem CID55470939
Molecular FormulaC19H24N6O4
Molecular Weight400.44 g/mol
Exact Mass400.19
IUPAC Name2-[4-[1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-N-prop-2-enylacetamide
SMILESC=CCNC(=O)CN1CCN(C(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1
InChIInChI=1S/C19H24N6O4/c1-3-8-20-17(26)13-23-9-11-24(12-10-23)14(2)18-21-22-19(29-18)15-4-6-16(7-5-15)25(27)28/h3-7,14H,1,8-13H2,2H3,(H,20,26)
InChIKeyUFOMROSYABOYGY-UHFFFAOYSA-N
XLogP1.63
TPSA117.64 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', '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

2-(4-nitrophenyl)-5-[1-[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 46614929
2-[(1S)-1-[(3R,5R)-3,5-dimethylpiperidin-1-yl]ethyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole
CID 8539713
N-(2-methoxyethyl)-2-[4-[[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]acetamide
CID 55432550
N-(4-methylphenyl)-2-[4-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]acetamide
CID 45281562
2-(4-nitrophenyl)-5-propan-2-yl-1,3,4-oxadiazole
CID 11264781
2-[4-[N'-[(4-nitrophenyl)methyl]-N-prop-2-enylcarbamimidoyl]piperazin-1-yl]-N-propan-2-ylacetamide;hydroiodide
CID 111366590
1-[4-[(1R)-1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 52532974
1-[4-[1-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-2-morpholin-4-ylethanone
CID 51111820
N-phenyl-2-[4-[1-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]acetamide
CID 55516747
2-[1-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]ethyl]-5-(4-nitrophenyl)-1,3,4-oxadiazole
CID 86885579
N-(2,3-dimethylphenyl)-2-[4-[(1S)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]acetamide
CID 30740204
2-[4-[1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-N-[2-(trifluoromethyl)phenyl]acetamide
CID 45281627

Frequently Asked Questions

What is the IUPAC name of 2-[4-[1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-N-prop-2-enylacetamide?
The IUPAC name of 2-[4-[1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-N-prop-2-enylacetamide (CID 55470939) is 2-[4-[1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-N-prop-2-enylacetamide.
What is the SMILES notation for 2-[4-[1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-N-prop-2-enylacetamide?
The canonical SMILES for 2-[4-[1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-N-prop-2-enylacetamide is C=CCNC(=O)CN1CCN(C(C)c2nnc(-c3ccc([N+](=O)[O-])cc3)o2)CC1.
What is the InChIKey of 2-[4-[1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-N-prop-2-enylacetamide?
The InChIKey is UFOMROSYABOYGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O4/c1-3-8-20-17(26)13-23-9-11-24(12-10-23)14(2)18-21-22-19(29-18)15-4-6-16(7-5-15)25(27)28/h3-7,14H,1,8-13H2,2H3,(H,20,26).
What are the key properties of 2-[4-[1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-N-prop-2-enylacetamide?
2-[4-[1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-N-prop-2-enylacetamide has a molecular weight of 400.44 g/mol, XLogP of 1.63, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[1-[5-(4-nitrophenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-N-prop-2-enylacetamide is sourced from PubChem (CID 55470939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).