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

C10H14N6O2 — CID 102791374

IUPAC5-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
SMILESCCNC(=O)c1noc([C@@H](N)Cc2cnc[nH]2)n1
InChIInChI=1S/C10H14N6O2/c1-2-13-9(17)8-15-10(18-16-8)7(11)3-6-4-12-5-14-6/h4-5,7H,2-3,11H2,1H3,(H,12,14)(H,13,17)/t7-/m0/s1
InChIKeyBINYRKSUQCLQDT-ZETCQYMHSA-N
MW250.26 g/mol
LogP-0.22
Rot. Bonds5

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

5-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide (PubChem CID 102791374) has the molecular formula C10H14N6O2 and a molecular weight of 250.26 g/mol. Its IUPAC name is 5-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide.

Molecular Properties

Compound Name5-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
PubChem CID102791374
Molecular FormulaC10H14N6O2
Molecular Weight250.26 g/mol
Exact Mass250.12
IUPAC Name5-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide
SMILESCCNC(=O)c1noc([C@@H](N)Cc2cnc[nH]2)n1
InChIInChI=1S/C10H14N6O2/c1-2-13-9(17)8-15-10(18-16-8)7(11)3-6-4-12-5-14-6/h4-5,7H,2-3,11H2,1H3,(H,12,14)(H,13,17)/t7-/m0/s1
InChIKeyBINYRKSUQCLQDT-ZETCQYMHSA-N
XLogP-0.22
TPSA122.72 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.26
LogP ≤ 5-0.22
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(1R)-1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 104894834
(1R)-1-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 104894655
(1R)-2-(1H-imidazol-5-yl)-1-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104894707
5-(1-amino-2,2-dimethylpropyl)-N-ethyl-1,2,4-oxadiazole-3-carboxamide
CID 102791174
(1S)-1-[3-[2-(diethylamino)ethyl]-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 29050320
(1S)-2-(1H-imidazol-5-yl)-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)ethanamine
CID 104894568
1-[3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 107925146
(1S)-1-[3-(1-ethoxybutyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 104894817
1-[3-(4-ethylphenyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 43627406
(1R)-1-[3-(butan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-2-(1H-imidazol-5-yl)ethanamine
CID 104894667
ethane;2-(1H-imidazol-5-yl)-1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 142606147
(1S)-2-(1H-imidazol-5-yl)-1-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104894821

Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide?
The IUPAC name of 5-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide (CID 102791374) is 5-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide.
What is the SMILES notation for 5-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide?
The canonical SMILES for 5-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide is CCNC(=O)c1noc([C@@H](N)Cc2cnc[nH]2)n1.
What is the InChIKey of 5-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide?
The InChIKey is BINYRKSUQCLQDT-ZETCQYMHSA-N. The full InChI is InChI=1S/C10H14N6O2/c1-2-13-9(17)8-15-10(18-16-8)7(11)3-6-4-12-5-14-6/h4-5,7H,2-3,11H2,1H3,(H,12,14)(H,13,17)/t7-/m0/s1.
What are the key properties of 5-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide?
5-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide has a molecular weight of 250.26 g/mol, XLogP of -0.22, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-amino-2-(1H-imidazol-5-yl)ethyl]-N-ethyl-1,2,4-oxadiazole-3-carboxamide is sourced from PubChem (CID 102791374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).