5-[2-(4-aminophenyl)ethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide

C13H16N4O2 — CID 102791281

IUPAC5-[2-(4-aminophenyl)ethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
SMILESCCNC(=O)c1noc(CCc2ccc(N)cc2)n1
InChIInChI=1S/C13H16N4O2/c1-2-15-13(18)12-16-11(19-17-12)8-5-9-3-6-10(14)7-4-9/h3-4,6-7H,2,5,8,14H2,1H3,(H,15,18)
InChIKeyRJXQIZDPKAXKPY-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.19
Rot. Bonds5

About 5-[2-(4-aminophenyl)ethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide

5-[2-(4-aminophenyl)ethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102791281) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-[2-(4-aminophenyl)ethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[2-(4-aminophenyl)ethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID102791281
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name5-[2-(4-aminophenyl)ethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
SMILESCCNC(=O)c1noc(CCc2ccc(N)cc2)n1
InChIInChI=1S/C13H16N4O2/c1-2-15-13(18)12-16-11(19-17-12)8-5-9-3-6-10(14)7-4-9/h3-4,6-7H,2,5,8,14H2,1H3,(H,15,18)
InChIKeyRJXQIZDPKAXKPY-UHFFFAOYSA-N
XLogP1.19
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 51.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

5-[[2-(aminomethyl)phenyl]methyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791111
5-[2-(aminomethyl)butyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791278
5-[(1-aminocyclopentyl)methyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791146
4-[2-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)ethyl]aniline
CID 80502975
5-(2-phenylethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 63383194
N-ethyl-5-[(2-methylpropylamino)methyl]-1,2,4-oxadiazole-3-carboxamide
CID 102791394
5-[2-(2-aminoethyl)phenyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791190
5-(2-amino-1-hydroxyethyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791226
4-amino-N-ethyl-2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethylamino]benzamide
CID 106414229
N-[2-(4-aminophenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119549376
4-[2-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 82008132
5-(2-aminopropan-2-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791094

Frequently Asked Questions

What is the IUPAC name of 5-[2-(4-aminophenyl)ethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[2-(4-aminophenyl)ethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide (CID 102791281) is 5-[2-(4-aminophenyl)ethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[2-(4-aminophenyl)ethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[2-(4-aminophenyl)ethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide is CCNC(=O)c1noc(CCc2ccc(N)cc2)n1.
What is the InChIKey of 5-[2-(4-aminophenyl)ethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is RJXQIZDPKAXKPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-2-15-13(18)12-16-11(19-17-12)8-5-9-3-6-10(14)7-4-9/h3-4,6-7H,2,5,8,14H2,1H3,(H,15,18).
What are the key properties of 5-[2-(4-aminophenyl)ethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide?
5-[2-(4-aminophenyl)ethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 1.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-(4-aminophenyl)ethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102791281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).