3-(3-aminophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide

C13H16N4O2 — CID 106391534

IUPAC3-(3-aminophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
SMILESNc1cccc(CCC(=O)NCCc2ncno2)c1
InChIInChI=1S/C13H16N4O2/c14-11-3-1-2-10(8-11)4-5-12(18)15-7-6-13-16-9-17-19-13/h1-3,8-9H,4-7,14H2,(H,15,18)
InChIKeyKQWUVQMYSVNQEE-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.94
Rot. Bonds6

About 3-(3-aminophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide

3-(3-aminophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide (PubChem CID 106391534) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-(3-aminophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3-aminophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
PubChem CID106391534
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name3-(3-aminophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
SMILESNc1cccc(CCC(=O)NCCc2ncno2)c1
InChIInChI=1S/C13H16N4O2/c14-11-3-1-2-10(8-11)4-5-12(18)15-7-6-13-16-9-17-19-13/h1-3,8-9H,4-7,14H2,(H,15,18)
InChIKeyKQWUVQMYSVNQEE-UHFFFAOYSA-N
XLogP0.94
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 50.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(3-aminophenyl)-N-propylpropanamide
CID 28713263
3-(3-aminophenyl)-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 28713453
3-(3-aminophenyl)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 28713362
3-(3-aminophenyl)-N-(3-phenylpropyl)propanamide
CID 28713423
5-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1-benzofuran-2-carboxamide
CID 106391489
6-[3-(3-aminophenyl)propanoylamino]hexanoic acid
CID 115341245
3-(3-aminophenyl)-N-(2-methylsulfinylethyl)propanamide
CID 113479619
3-(3-aminophenyl)-N-[2-(methanesulfonamido)ethyl]propanamide
CID 43546334
4-amino-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106391581
4-[3-(3-aminophenyl)propanoylamino]-2-methylbutanoic acid
CID 115341605
2-(3-aminophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 106413391
3-[[2-(1,2,4-oxadiazol-5-yl)ethylcarbamoylamino]methyl]benzoic acid
CID 106403730

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The IUPAC name of 3-(3-aminophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide (CID 106391534) is 3-(3-aminophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide.
What is the SMILES notation for 3-(3-aminophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The canonical SMILES for 3-(3-aminophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide is Nc1cccc(CCC(=O)NCCc2ncno2)c1.
What is the InChIKey of 3-(3-aminophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide?
The InChIKey is KQWUVQMYSVNQEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c14-11-3-1-2-10(8-11)4-5-12(18)15-7-6-13-16-9-17-19-13/h1-3,8-9H,4-7,14H2,(H,15,18).
What are the key properties of 3-(3-aminophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide?
3-(3-aminophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide has a molecular weight of 260.30 g/mol, XLogP of 0.94, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-aminophenyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide is sourced from PubChem (CID 106391534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).