3-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-phenylpropanamide

C13H16N4O2 — CID 106397844

IUPAC3-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-phenylpropanamide
SMILESNCC(C(=O)NCCc1ncon1)c1ccccc1
InChIInChI=1S/C13H16N4O2/c14-8-11(10-4-2-1-3-5-10)13(18)15-7-6-12-16-9-19-17-12/h1-5,9,11H,6-8,14H2,(H,15,18)
InChIKeyVDFJGQLNWBETMU-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.47
Rot. Bonds6

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

3-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-phenylpropanamide (PubChem CID 106397844) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 3-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-phenylpropanamide.

Molecular Properties

Compound Name3-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-phenylpropanamide
PubChem CID106397844
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name3-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-phenylpropanamide
SMILESNCC(C(=O)NCCc1ncon1)c1ccccc1
InChIInChI=1S/C13H16N4O2/c14-8-11(10-4-2-1-3-5-10)13(18)15-7-6-12-16-9-19-17-12/h1-5,9,11H,6-8,14H2,(H,15,18)
InChIKeyVDFJGQLNWBETMU-UHFFFAOYSA-N
XLogP0.47
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 ≤ 50.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 3-[2-(1,2,4-oxadiazol-3-yl)ethylamino]-2-phenylpropanoate
CID 106401183
(2R)-2-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpropanamide
CID 106397820
3-amino-2-phenyl-N-(2-phenylethyl)propanamide
CID 62879042
N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenyl-2-sulfanylpropanamide
CID 106410118
3-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-phenylpropanamide
CID 106397456
2-(aminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]butanamide
CID 106397697
2-chloro-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]propanamide
CID 106395575
3-amino-N-[2-(2-fluorophenyl)ethyl]-2-phenylpropanamide
CID 62877979
3-amino-N-[2-(4-hydroxyphenyl)ethyl]-2-phenylpropanamide
CID 62878017
2-amino-N-(1,2,4-oxadiazol-3-ylmethyl)-2-phenylacetamide
CID 106397092
(2S)-2-amino-3-methyl-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]pentanamide
CID 106397686
2-[N-[2-(1,2,4-oxadiazol-3-yl)ethylcarbamoyl]anilino]acetic acid
CID 106404698

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-phenylpropanamide?
The IUPAC name of 3-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-phenylpropanamide (CID 106397844) is 3-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-phenylpropanamide.
What is the SMILES notation for 3-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-phenylpropanamide?
The canonical SMILES for 3-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-phenylpropanamide is NCC(C(=O)NCCc1ncon1)c1ccccc1.
What is the InChIKey of 3-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-phenylpropanamide?
The InChIKey is VDFJGQLNWBETMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c14-8-11(10-4-2-1-3-5-10)13(18)15-7-6-12-16-9-19-17-12/h1-5,9,11H,6-8,14H2,(H,15,18).
What are the key properties of 3-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-phenylpropanamide?
3-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-phenylpropanamide has a molecular weight of 260.30 g/mol, XLogP of 0.47, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-phenylpropanamide is sourced from PubChem (CID 106397844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).