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

C13H16N4O2 — CID 106397820

IUPAC(2R)-2-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpropanamide
SMILESN[C@H](Cc1ccccc1)C(=O)NCCc1ncon1
InChIInChI=1S/C13H16N4O2/c14-11(8-10-4-2-1-3-5-10)13(18)15-7-6-12-16-9-19-17-12/h1-5,9,11H,6-8,14H2,(H,15,18)/t11-/m1/s1
InChIKeyBEACQVVHBSRMCQ-LLVKDONJSA-N
MW260.30 g/mol
LogP0.30
Rot. Bonds6

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

(2R)-2-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpropanamide (PubChem CID 106397820) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is (2R)-2-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpropanamide
PubChem CID106397820
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name(2R)-2-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpropanamide
SMILESN[C@H](Cc1ccccc1)C(=O)NCCc1ncon1
InChIInChI=1S/C13H16N4O2/c14-11(8-10-4-2-1-3-5-10)13(18)15-7-6-12-16-9-19-17-12/h1-5,9,11H,6-8,14H2,(H,15,18)/t11-/m1/s1
InChIKeyBEACQVVHBSRMCQ-LLVKDONJSA-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

N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenyl-2-sulfanylpropanamide
CID 106410118
3-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-2-phenylpropanamide
CID 106397844
(2S)-2-amino-3-phenyl-N-(2-phenylethyl)propanamide;hydrochloride
CID 21308260
2-amino-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-3-phenylpropanamide
CID 106397552
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
(2S)-2-amino-N-[2-(4-methylphenyl)ethyl]-3-phenylpropanamide;hydrochloride
CID 119326873
(2R)-2-amino-3-(4-chlorophenyl)-N-(2-phenylethyl)propanamide
CID 70832630
2-(aminomethyl)-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]butanamide
CID 106397697
(2S)-2-amino-3-(3,4-dihydroxyphenyl)-N-(1,2,4-oxadiazol-3-ylmethyl)propanamide
CID 106396967
(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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpropanamide?
The IUPAC name of (2R)-2-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpropanamide (CID 106397820) is (2R)-2-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpropanamide?
The canonical SMILES for (2R)-2-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpropanamide is N[C@H](Cc1ccccc1)C(=O)NCCc1ncon1.
What is the InChIKey of (2R)-2-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpropanamide?
The InChIKey is BEACQVVHBSRMCQ-LLVKDONJSA-N. The full InChI is InChI=1S/C13H16N4O2/c14-11(8-10-4-2-1-3-5-10)13(18)15-7-6-12-16-9-19-17-12/h1-5,9,11H,6-8,14H2,(H,15,18)/t11-/m1/s1.
What are the key properties of (2R)-2-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpropanamide?
(2R)-2-amino-N-[2-(1,2,4-oxadiazol-3-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 (2R)-2-amino-N-[2-(1,2,4-oxadiazol-3-yl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 106397820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).