5-[(1S)-1-amino-2-phenylethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide

C13H16N4O2 — CID 102791120

IUPAC5-[(1S)-1-amino-2-phenylethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
SMILESCCNC(=O)c1noc([C@@H](N)Cc2ccccc2)n1
InChIInChI=1S/C13H16N4O2/c1-2-15-12(18)11-16-13(19-17-11)10(14)8-9-6-4-3-5-7-9/h3-7,10H,2,8,14H2,1H3,(H,15,18)/t10-/m0/s1
InChIKeyPDOSGAXFQVMITP-JTQLQIEISA-N
MW260.30 g/mol
LogP1.06
Rot. Bonds5

About 5-[(1S)-1-amino-2-phenylethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide

5-[(1S)-1-amino-2-phenylethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102791120) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 5-[(1S)-1-amino-2-phenylethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[(1S)-1-amino-2-phenylethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID102791120
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name5-[(1S)-1-amino-2-phenylethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
SMILESCCNC(=O)c1noc([C@@H](N)Cc2ccccc2)n1
InChIInChI=1S/C13H16N4O2/c1-2-15-12(18)11-16-13(19-17-11)10(14)8-9-6-4-3-5-7-9/h3-7,10H,2,8,14H2,1H3,(H,15,18)/t10-/m0/s1
InChIKeyPDOSGAXFQVMITP-JTQLQIEISA-N
XLogP1.06
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 ≤ 51.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

5-(1-amino-2-phenylethyl)-1,2,4-oxadiazole-3-carboxylic acid
CID 18318428
5-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791374
5-(1-amino-2,2-dimethylpropyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791174
N-benzyl-5-[(1R)-1-(methylamino)-2-phenylethyl]-1,2,4-oxadiazole-3-carboxamide
CID 54318633
5-(2-amino-1-hydroxyethyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791226
5-(1-amino-3-methylbutan-2-yl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791100
5-[1-[(2-amino-3-naphthalen-2-ylbutanoyl)amino]-2-phenylethyl]-N-benzyl-1,2,4-oxadiazole-3-carboxamide
CID 57001231
(1S)-2-phenyl-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 2512349
1-[3-[2-(2-methoxyethoxy)ethyl]-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 102926580
(1R)-1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 29052317
5-[(1S)-1-amino-2-(1H-indol-3-yl)ethyl]-N-methyl-1,2,4-oxadiazole-3-carboxamide
CID 102790745
2-(1-amino-2-phenylethyl)-N-(4-phenylbutyl)-1,3-oxazole-4-carboxamide
CID 3798183

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-amino-2-phenylethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[(1S)-1-amino-2-phenylethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide (CID 102791120) is 5-[(1S)-1-amino-2-phenylethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[(1S)-1-amino-2-phenylethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[(1S)-1-amino-2-phenylethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide is CCNC(=O)c1noc([C@@H](N)Cc2ccccc2)n1.
What is the InChIKey of 5-[(1S)-1-amino-2-phenylethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is PDOSGAXFQVMITP-JTQLQIEISA-N. The full InChI is InChI=1S/C13H16N4O2/c1-2-15-12(18)11-16-13(19-17-11)10(14)8-9-6-4-3-5-7-9/h3-7,10H,2,8,14H2,1H3,(H,15,18)/t10-/m0/s1.
What are the key properties of 5-[(1S)-1-amino-2-phenylethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide?
5-[(1S)-1-amino-2-phenylethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 260.30 g/mol, XLogP of 1.06, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-amino-2-phenylethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102791120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).