4-nitro-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzamide

C11H11N5O4 — CID 106403735

IUPAC4-nitro-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzamide
SMILESNC(=O)c1ccc([N+](=O)[O-])c(NCCc2ncno2)c1
InChIInChI=1S/C11H11N5O4/c12-11(17)7-1-2-9(16(18)19)8(5-7)13-4-3-10-14-6-15-20-10/h1-2,5-6,13H,3-4H2,(H2,12,17)
InChIKeyZEZJZPIZYZLYPA-UHFFFAOYSA-N
MW277.24 g/mol
LogP0.73
Rot. Bonds6

About 4-nitro-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzamide

4-nitro-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzamide (PubChem CID 106403735) has the molecular formula C11H11N5O4 and a molecular weight of 277.24 g/mol. Its IUPAC name is 4-nitro-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzamide.

Molecular Properties

Compound Name4-nitro-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzamide
PubChem CID106403735
Molecular FormulaC11H11N5O4
Molecular Weight277.24 g/mol
Exact Mass277.08
IUPAC Name4-nitro-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzamide
SMILESNC(=O)c1ccc([N+](=O)[O-])c(NCCc2ncno2)c1
InChIInChI=1S/C11H11N5O4/c12-11(17)7-1-2-9(16(18)19)8(5-7)13-4-3-10-14-6-15-20-10/h1-2,5-6,13H,3-4H2,(H2,12,17)
InChIKeyZEZJZPIZYZLYPA-UHFFFAOYSA-N
XLogP0.73
TPSA137.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.24
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-methyl-4-nitro-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzamide
CID 106403701
4-nitro-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzonitrile
CID 104858349
2-fluoro-5-nitro-4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzoic acid
CID 106400871
4-amino-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzamide
CID 114183117
4-nitro-3-(3-sulfamoylpropylamino)benzamide
CID 82995123
3-[[3-(dimethylamino)-3-oxopropyl]amino]-4-nitrobenzamide
CID 82994972
4-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-(trifluoromethyl)aniline
CID 103744326
3-(5-methylhexylamino)-4-nitrobenzamide
CID 82995129
ethyl 4-amino-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzoate
CID 106407389
4-nitro-3-(prop-2-enylamino)benzamide
CID 82995657
3-nitro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridin-2-amine
CID 113253242
3-[2-(2-methoxyethylamino)ethylamino]-4-nitrobenzamide
CID 83030808

Frequently Asked Questions

What is the IUPAC name of 4-nitro-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzamide?
The IUPAC name of 4-nitro-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzamide (CID 106403735) is 4-nitro-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzamide.
What is the SMILES notation for 4-nitro-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzamide?
The canonical SMILES for 4-nitro-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzamide is NC(=O)c1ccc([N+](=O)[O-])c(NCCc2ncno2)c1.
What is the InChIKey of 4-nitro-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzamide?
The InChIKey is ZEZJZPIZYZLYPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N5O4/c12-11(17)7-1-2-9(16(18)19)8(5-7)13-4-3-10-14-6-15-20-10/h1-2,5-6,13H,3-4H2,(H2,12,17).
What are the key properties of 4-nitro-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzamide?
4-nitro-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzamide has a molecular weight of 277.24 g/mol, XLogP of 0.73, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-nitro-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzamide is sourced from PubChem (CID 106403735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).