(1S)-1-(1,2,4-oxadiazol-5-yl)ethanamine

C4H7N3O — CID 28924821

IUPAC(1S)-1-(1,2,4-oxadiazol-5-yl)ethanamine
SMILESC[C@H](N)c1ncno1
InChIInChI=1S/C4H7N3O/c1-3(5)4-6-2-7-8-4/h2-3H,5H2,1H3/t3-/m0/s1
InChIKeyCIHQZPVUYBHNQO-VKHMYHEASA-N
MW113.12 g/mol
LogP0.09
Rot. Bonds1

About (1S)-1-(1,2,4-oxadiazol-5-yl)ethanamine

(1S)-1-(1,2,4-oxadiazol-5-yl)ethanamine (PubChem CID 28924821) has the molecular formula C4H7N3O and a molecular weight of 113.12 g/mol. Its IUPAC name is (1S)-1-(1,2,4-oxadiazol-5-yl)ethanamine.

Molecular Properties

Compound Name(1S)-1-(1,2,4-oxadiazol-5-yl)ethanamine
PubChem CID28924821
Molecular FormulaC4H7N3O
Molecular Weight113.12 g/mol
Exact Mass113.06
IUPAC Name(1S)-1-(1,2,4-oxadiazol-5-yl)ethanamine
SMILESC[C@H](N)c1ncno1
InChIInChI=1S/C4H7N3O/c1-3(5)4-6-2-7-8-4/h2-3H,5H2,1H3/t3-/m0/s1
InChIKeyCIHQZPVUYBHNQO-VKHMYHEASA-N
XLogP0.09
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500113.12
LogP ≤ 50.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1S)-2-methyl-1-(1,2,4-oxadiazol-5-yl)propan-1-amine
CID 82418105
cyclopentane;pentakis(2-methylpropane);5-propan-2-yl-1,2,4-oxadiazole
CID 162280781
(1S)-2-methyl-1-(1,2,4-oxadiazol-5-yl)butan-1-amine
CID 102993814
(1S,2S)-2-methyl-1-(1,2,4-oxadiazol-5-yl)butan-1-amine
CID 82416346
3,3-dimethyl-1-(1,2,4-oxadiazol-5-yl)butan-1-amine
CID 131081533
2-amino-2-(1,2,4-oxadiazol-5-yl)ethanol
CID 82234828
1-(1,2,4-oxadiazol-5-yl)propan-2-amine
CID 82234832
2-(1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 102993784
5-propan-2-yl-1,2,4-oxadiazole;2-propan-2-ylpyridine
CID 169145727
5-(1-aminoethyl)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106413157
5-[1-(5-propan-2-yl-1,3-oxazol-2-yl)propan-2-yl]-1,2,4-oxadiazole
CID 156522893
1-(1,2,4-oxadiazol-5-yl)-1-propan-2-ylhydrazine
CID 90063744

Frequently Asked Questions

What is the IUPAC name of (1S)-1-(1,2,4-oxadiazol-5-yl)ethanamine?
The IUPAC name of (1S)-1-(1,2,4-oxadiazol-5-yl)ethanamine (CID 28924821) is (1S)-1-(1,2,4-oxadiazol-5-yl)ethanamine.
What is the SMILES notation for (1S)-1-(1,2,4-oxadiazol-5-yl)ethanamine?
The canonical SMILES for (1S)-1-(1,2,4-oxadiazol-5-yl)ethanamine is C[C@H](N)c1ncno1.
What is the InChIKey of (1S)-1-(1,2,4-oxadiazol-5-yl)ethanamine?
The InChIKey is CIHQZPVUYBHNQO-VKHMYHEASA-N. The full InChI is InChI=1S/C4H7N3O/c1-3(5)4-6-2-7-8-4/h2-3H,5H2,1H3/t3-/m0/s1.
What are the key properties of (1S)-1-(1,2,4-oxadiazol-5-yl)ethanamine?
(1S)-1-(1,2,4-oxadiazol-5-yl)ethanamine has a molecular weight of 113.12 g/mol, XLogP of 0.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-1-(1,2,4-oxadiazol-5-yl)ethanamine is sourced from PubChem (CID 28924821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).