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

C13H16N4O2 — CID 119340919

IUPAC3-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
SMILESCC(NC(=O)CCN)c1noc(-c2ccccc2)n1
InChIInChI=1S/C13H16N4O2/c1-9(15-11(18)7-8-14)12-16-13(19-17-12)10-5-3-2-4-6-10/h2-6,9H,7-8,14H2,1H3,(H,15,18)
InChIKeyMSSYAHYJBPQGFT-UHFFFAOYSA-N
MW260.30 g/mol
LogP1.26
Rot. Bonds5

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

3-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide (PubChem CID 119340919) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
PubChem CID119340919
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name3-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide
SMILESCC(NC(=O)CCN)c1noc(-c2ccccc2)n1
InChIInChI=1S/C13H16N4O2/c1-9(15-11(18)7-8-14)12-16-13(19-17-12)10-5-3-2-4-6-10/h2-6,9H,7-8,14H2,1H3,(H,15,18)
InChIKeyMSSYAHYJBPQGFT-UHFFFAOYSA-N
XLogP1.26
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 ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]acetamide;hydrochloride
CID 119340920
2-(2-aminoethyl)-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide
CID 120637740
3-amino-2-methyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]butanamide;hydrochloride
CID 120502036
2-(2-aminoethyl)-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]-1,3-thiazole-4-carboxamide;hydrochloride
CID 120637739
3-[methyl-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethylcarbamoyl]amino]propanoic acid
CID 122006749
(2S,5R)-5-(aminomethyl)-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]oxolane-2-carboxamide;hydrochloride
CID 120795867
4-ethyl-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]piperazine-1-carboxamide
CID 71917758
(2R)-2-amino-N-[1-[5-(4-chlorophenyl)-1,2,4-oxadiazol-3-yl]ethyl]propanamide
CID 119344422
3-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]cyclohexane-1-carboxamide
CID 119813900
1-[5-(3-phenoxyphenyl)-1,2,4-oxadiazol-3-yl]ethylurea
CID 167970004
1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethanol
CID 75481811
3-amino-N-(1-phenylethyl)propanamide
CID 16784228

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide?
The IUPAC name of 3-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide (CID 119340919) is 3-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide.
What is the SMILES notation for 3-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide?
The canonical SMILES for 3-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide is CC(NC(=O)CCN)c1noc(-c2ccccc2)n1.
What is the InChIKey of 3-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide?
The InChIKey is MSSYAHYJBPQGFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-9(15-11(18)7-8-14)12-16-13(19-17-12)10-5-3-2-4-6-10/h2-6,9H,7-8,14H2,1H3,(H,15,18).
What are the key properties of 3-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide?
3-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide has a molecular weight of 260.30 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[1-(5-phenyl-1,2,4-oxadiazol-3-yl)ethyl]propanamide is sourced from PubChem (CID 119340919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).