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

C13H16N4O2 — CID 106413391

IUPAC2-(3-aminophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
SMILESCc1noc(CCNC(=O)Cc2cccc(N)c2)n1
InChIInChI=1S/C13H16N4O2/c1-9-16-13(19-17-9)5-6-15-12(18)8-10-3-2-4-11(14)7-10/h2-4,7H,5-6,8,14H2,1H3,(H,15,18)
InChIKeyPMLLNKMLOLFFLI-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.86
Rot. Bonds5

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

2-(3-aminophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide (PubChem CID 106413391) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-(3-aminophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(3-aminophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
PubChem CID106413391
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-(3-aminophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
SMILESCc1noc(CCNC(=O)Cc2cccc(N)c2)n1
InChIInChI=1S/C13H16N4O2/c1-9-16-13(19-17-9)5-6-15-12(18)8-10-3-2-4-11(14)7-10/h2-4,7H,5-6,8,14H2,1H3,(H,15,18)
InChIKeyPMLLNKMLOLFFLI-UHFFFAOYSA-N
XLogP0.86
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 ≤ 50.86
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

(E)-3-(3-aminophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]prop-2-enamide
CID 106416428
3-(2-aminophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 107329579
2,4-diamino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106413367
3,5-diamino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106413318
2-(4-aminophenoxy)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 106413302
2-(3-aminophenyl)-N-propylacetamide
CID 28689659
N-[2-(4-aminophenyl)ethyl]-4-(3-methyl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 119549376
5-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]pyridine-2-carboxamide
CID 114185667
2-amino-4-methyl-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106422930
4-amino-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrrole-2-carboxamide
CID 114185674
2-(3-aminophenyl)-N-[2-(furan-2-yl)ethyl]acetamide
CID 55083762
2-amino-5-fluoro-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]benzamide
CID 106413315

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide?
The IUPAC name of 2-(3-aminophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide (CID 106413391) is 2-(3-aminophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide.
What is the SMILES notation for 2-(3-aminophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide?
The canonical SMILES for 2-(3-aminophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide is Cc1noc(CCNC(=O)Cc2cccc(N)c2)n1.
What is the InChIKey of 2-(3-aminophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide?
The InChIKey is PMLLNKMLOLFFLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9-16-13(19-17-9)5-6-15-12(18)8-10-3-2-4-11(14)7-10/h2-4,7H,5-6,8,14H2,1H3,(H,15,18).
What are the key properties of 2-(3-aminophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide?
2-(3-aminophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide has a molecular weight of 260.30 g/mol, XLogP of 0.86, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminophenyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]acetamide is sourced from PubChem (CID 106413391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).