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

C11H13N5O2 — CID 114183117

IUPAC4-amino-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzamide
SMILESNC(=O)c1ccc(N)cc1NCCc1ncno1
InChIInChI=1S/C11H13N5O2/c12-7-1-2-8(11(13)17)9(5-7)14-4-3-10-15-6-16-18-10/h1-2,5-6,14H,3-4,12H2,(H2,13,17)
InChIKeyXLCGIXVOZPDSQT-UHFFFAOYSA-N
MW247.26 g/mol
LogP0.41
Rot. Bonds5

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

4-amino-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzamide (PubChem CID 114183117) has the molecular formula C11H13N5O2 and a molecular weight of 247.26 g/mol. Its IUPAC name is 4-amino-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzamide.

Molecular Properties

Compound Name4-amino-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzamide
PubChem CID114183117
Molecular FormulaC11H13N5O2
Molecular Weight247.26 g/mol
Exact Mass247.11
IUPAC Name4-amino-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzamide
SMILESNC(=O)c1ccc(N)cc1NCCc1ncno1
InChIInChI=1S/C11H13N5O2/c12-7-1-2-8(11(13)17)9(5-7)14-4-3-10-15-6-16-18-10/h1-2,5-6,14H,3-4,12H2,(H2,13,17)
InChIKeyXLCGIXVOZPDSQT-UHFFFAOYSA-N
XLogP0.41
TPSA120.06 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.26
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

4-amino-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106391581
5-amino-N-methyl-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzenesulfonamide
CID 106393853
6-[2-(1,2,4-oxadiazol-5-yl)ethylamino]pyridazine-3-carboxamide
CID 113253256
2-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridine-2,5-diamine
CID 106393639
4-amino-2-[2-(1-methyl-1,2,4-triazol-3-yl)ethylamino]benzamide
CID 80680908
4-amino-2-[2-(carbamoylamino)ethylamino]benzamide
CID 83117175
4-nitro-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzamide
CID 106403735
ethyl 4-amino-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzoate
CID 106407389
3-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]pyridazine-3,6-diamine
CID 106411541
4-amino-2-(6-hydroxyhexylamino)benzamide
CID 107844200
4-amino-2-(1,2-oxazol-3-ylmethylamino)benzamide
CID 81170408
2-fluoro-4-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzoic acid
CID 114185307

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzamide?
The IUPAC name of 4-amino-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzamide (CID 114183117) is 4-amino-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzamide.
What is the SMILES notation for 4-amino-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzamide?
The canonical SMILES for 4-amino-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzamide is NC(=O)c1ccc(N)cc1NCCc1ncno1.
What is the InChIKey of 4-amino-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzamide?
The InChIKey is XLCGIXVOZPDSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O2/c12-7-1-2-8(11(13)17)9(5-7)14-4-3-10-15-6-16-18-10/h1-2,5-6,14H,3-4,12H2,(H2,13,17).
What are the key properties of 4-amino-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzamide?
4-amino-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzamide has a molecular weight of 247.26 g/mol, XLogP of 0.41, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]benzamide is sourced from PubChem (CID 114183117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).