4-amino-N-ethyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzamide

C13H17N5O2 — CID 106394006

IUPAC4-amino-N-ethyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzamide
SMILESCCNC(=O)c1ccc(N)cc1NCCc1ncon1
InChIInChI=1S/C13H17N5O2/c1-2-15-13(19)10-4-3-9(14)7-11(10)16-6-5-12-17-8-20-18-12/h3-4,7-8,16H,2,5-6,14H2,1H3,(H,15,19)
InChIKeyHOLZEPYFGALSSY-UHFFFAOYSA-N
MW275.31 g/mol
LogP1.06
Rot. Bonds6

About 4-amino-N-ethyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzamide

4-amino-N-ethyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzamide (PubChem CID 106394006) has the molecular formula C13H17N5O2 and a molecular weight of 275.31 g/mol. Its IUPAC name is 4-amino-N-ethyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzamide.

Molecular Properties

Compound Name4-amino-N-ethyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzamide
PubChem CID106394006
Molecular FormulaC13H17N5O2
Molecular Weight275.31 g/mol
Exact Mass275.14
IUPAC Name4-amino-N-ethyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzamide
SMILESCCNC(=O)c1ccc(N)cc1NCCc1ncon1
InChIInChI=1S/C13H17N5O2/c1-2-15-13(19)10-4-3-9(14)7-11(10)16-6-5-12-17-8-20-18-12/h3-4,7-8,16H,2,5-6,14H2,1H3,(H,15,19)
InChIKeyHOLZEPYFGALSSY-UHFFFAOYSA-N
XLogP1.06
TPSA106.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.31
LogP ≤ 51.06
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

2-(ethylamino)-4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106409041
4-amino-N-ethyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide
CID 106414229
4-amino-2-fluoro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 114182826
4-amino-N-ethyl-2-(1,2-oxazol-3-ylmethylamino)benzamide
CID 81171388
4-amino-N-ethyl-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide
CID 106104018
2-chloro-1-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzene-1,4-diamine
CID 106394049
2-hydrazinyl-4-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]benzamide
CID 106409422
3-(ethylamino)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyridine-4-carboxamide
CID 106409098
4-amino-N-methyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzamide
CID 106414056
4-amino-N-methyl-3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzamide
CID 106393963
4-amino-N-ethyl-2-[3-(2-hydroxyethoxy)propylamino]benzamide
CID 106308871
4-amino-2-[(3-amino-2-hydroxy-3-oxopropyl)amino]-N-ethylbenzamide
CID 106166574

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzamide?
The IUPAC name of 4-amino-N-ethyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzamide (CID 106394006) is 4-amino-N-ethyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzamide.
What is the SMILES notation for 4-amino-N-ethyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzamide?
The canonical SMILES for 4-amino-N-ethyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzamide is CCNC(=O)c1ccc(N)cc1NCCc1ncon1.
What is the InChIKey of 4-amino-N-ethyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzamide?
The InChIKey is HOLZEPYFGALSSY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N5O2/c1-2-15-13(19)10-4-3-9(14)7-11(10)16-6-5-12-17-8-20-18-12/h3-4,7-8,16H,2,5-6,14H2,1H3,(H,15,19).
What are the key properties of 4-amino-N-ethyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzamide?
4-amino-N-ethyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzamide has a molecular weight of 275.31 g/mol, XLogP of 1.06, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-ethyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzamide is sourced from PubChem (CID 106394006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).