4-amino-N-ethyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide

C14H19N5O2 — CID 106414229

IUPAC4-amino-N-ethyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide
SMILESCCNC(=O)c1ccc(N)cc1NCCc1nc(C)no1
InChIInChI=1S/C14H19N5O2/c1-3-16-14(20)11-5-4-10(15)8-12(11)17-7-6-13-18-9(2)19-21-13/h4-5,8,17H,3,6-7,15H2,1-2H3,(H,16,20)
InChIKeyCARAIKZGNADPNH-UHFFFAOYSA-N
MW289.34 g/mol
LogP1.36
Rot. Bonds6

About 4-amino-N-ethyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide

4-amino-N-ethyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide (PubChem CID 106414229) has the molecular formula C14H19N5O2 and a molecular weight of 289.34 g/mol. Its IUPAC name is 4-amino-N-ethyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide.

Molecular Properties

Compound Name4-amino-N-ethyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide
PubChem CID106414229
Molecular FormulaC14H19N5O2
Molecular Weight289.34 g/mol
Exact Mass289.15
IUPAC Name4-amino-N-ethyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide
SMILESCCNC(=O)c1ccc(N)cc1NCCc1nc(C)no1
InChIInChI=1S/C14H19N5O2/c1-3-16-14(20)11-5-4-10(15)8-12(11)17-7-6-13-18-9(2)19-21-13/h4-5,8,17H,3,6-7,15H2,1-2H3,(H,16,20)
InChIKeyCARAIKZGNADPNH-UHFFFAOYSA-N
XLogP1.36
TPSA106.07 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.34
LogP ≤ 51.36
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

2,4-diamino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106413367
2-(ethylamino)-4-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106422949
4-amino-N-ethyl-2-[2-(1,2,4-oxadiazol-3-yl)ethylamino]benzamide
CID 106394006
2-amino-4-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106422930
4-amino-N-ethyl-2-[2-(1-methylpyrazol-3-yl)ethylamino]benzamide
CID 106104018
4-amino-N-methyl-2-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]benzamide
CID 106414056
2-(3-aminophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 106413391
4-amino-N-ethyl-2-(1,2-oxazol-3-ylmethylamino)benzamide
CID 81171388
3,5-diamino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106413318
4-amino-N,N-dimethyl-3-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide
CID 106414327
2-amino-5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106413315
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-4-(propylamino)pyridine-3-carboxamide
CID 106422913

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-ethyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide?
The IUPAC name of 4-amino-N-ethyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide (CID 106414229) is 4-amino-N-ethyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide.
What is the SMILES notation for 4-amino-N-ethyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide?
The canonical SMILES for 4-amino-N-ethyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide is CCNC(=O)c1ccc(N)cc1NCCc1nc(C)no1.
What is the InChIKey of 4-amino-N-ethyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide?
The InChIKey is CARAIKZGNADPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N5O2/c1-3-16-14(20)11-5-4-10(15)8-12(11)17-7-6-13-18-9(2)19-21-13/h4-5,8,17H,3,6-7,15H2,1-2H3,(H,16,20).
What are the key properties of 4-amino-N-ethyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide?
4-amino-N-ethyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide has a molecular weight of 289.34 g/mol, XLogP of 1.36, 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-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide is sourced from PubChem (CID 106414229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).