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

C13H16N4O2 — CID 106397552

IUPAC2-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-phenylpropanamide
SMILESNC(Cc1ccccc1)C(=O)NCCc1ncno1
InChIInChI=1S/C13H16N4O2/c14-11(8-10-4-2-1-3-5-10)13(18)15-7-6-12-16-9-17-19-12/h1-5,9,11H,6-8,14H2,(H,15,18)
InChIKeyOUBLODHEJAHECM-UHFFFAOYSA-N
MW260.30 g/mol
LogP0.30
Rot. Bonds6

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

2-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-phenylpropanamide (PubChem CID 106397552) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-phenylpropanamide
PubChem CID106397552
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-phenylpropanamide
SMILESNC(Cc1ccccc1)C(=O)NCCc1ncno1
InChIInChI=1S/C13H16N4O2/c14-11(8-10-4-2-1-3-5-10)13(18)15-7-6-12-16-9-17-19-12/h1-5,9,11H,6-8,14H2,(H,15,18)
InChIKeyOUBLODHEJAHECM-UHFFFAOYSA-N
XLogP0.30
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 ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260
(2R)-2-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpropanamide
CID 106397820
2-amino-3-phenyl-N-(2-pyridin-4-ylethyl)propanamide
CID 60904033
2-amino-N-[2-(2-methylpyrazol-3-yl)ethyl]-3-phenylpropanamide
CID 103006482
(2R)-2-amino-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 70832630
(2S)-2-amino-N-[2-(4-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119326873
4-amino-2-methyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butanamide
CID 106397296
(2S)-2-amino-N-(3-methylbutyl)-3-phenylpropanamide
CID 10399143
(2S)-2-amino-N-[2-[2-[[(2S)-2-amino-3-phenylpropanoyl]amino]ethyldisulfanyl]ethyl]-3-phenylpropanamide
CID 10388888
2-amino-N-(3-hydroxypropyl)-3-phenylpropanamide
CID 14308256
2-amino-N-ethyl-3-phenylpropanamide;hydrochloride
CID 53409094
(2R)-2-amino-N-(2-phenoxyethyl)-3-phenylpropanamide
CID 78984684

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-phenylpropanamide?
The IUPAC name of 2-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-phenylpropanamide (CID 106397552) is 2-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-phenylpropanamide?
The canonical SMILES for 2-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-phenylpropanamide is NC(Cc1ccccc1)C(=O)NCCc1ncno1.
What is the InChIKey of 2-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-phenylpropanamide?
The InChIKey is OUBLODHEJAHECM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c14-11(8-10-4-2-1-3-5-10)13(18)15-7-6-12-16-9-17-19-12/h1-5,9,11H,6-8,14H2,(H,15,18).
What are the key properties of 2-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-phenylpropanamide?
2-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-phenylpropanamide has a molecular weight of 260.30 g/mol, XLogP of 0.30, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 106397552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).