2-[5-[(1S)-1-aminobutyl]-1,2,4-oxadiazol-3-yl]ethanol

C8H15N3O2 — CID 107565558

IUPAC2-[5-[(1S)-1-aminobutyl]-1,2,4-oxadiazol-3-yl]ethanol
SMILESCCC[C@H](N)c1nc(CCO)no1
InChIInChI=1S/C8H15N3O2/c1-2-3-6(9)8-10-7(4-5-12)11-13-8/h6,12H,2-5,9H2,1H3/t6-/m0/s1
InChIKeyZWLGCJWNUCTPFM-LURJTMIESA-N
MW185.23 g/mol
LogP0.40
Rot. Bonds5

About 2-[5-[(1S)-1-aminobutyl]-1,2,4-oxadiazol-3-yl]ethanol

2-[5-[(1S)-1-aminobutyl]-1,2,4-oxadiazol-3-yl]ethanol (PubChem CID 107565558) has the molecular formula C8H15N3O2 and a molecular weight of 185.23 g/mol. Its IUPAC name is 2-[5-[(1S)-1-aminobutyl]-1,2,4-oxadiazol-3-yl]ethanol.

Molecular Properties

Compound Name2-[5-[(1S)-1-aminobutyl]-1,2,4-oxadiazol-3-yl]ethanol
PubChem CID107565558
Molecular FormulaC8H15N3O2
Molecular Weight185.23 g/mol
Exact Mass185.12
IUPAC Name2-[5-[(1S)-1-aminobutyl]-1,2,4-oxadiazol-3-yl]ethanol
SMILESCCC[C@H](N)c1nc(CCO)no1
InChIInChI=1S/C8H15N3O2/c1-2-3-6(9)8-10-7(4-5-12)11-13-8/h6,12H,2-5,9H2,1H3/t6-/m0/s1
InChIKeyZWLGCJWNUCTPFM-LURJTMIESA-N
XLogP0.40
TPSA85.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.23
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[5-[(1S)-1-aminobutyl]-1,2,4-oxadiazol-3-yl]ethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3-propyl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43670386
1-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 115345334
1-(3-propyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 43670431
(1S)-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 107565256
1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)butan-1-amine
CID 43630134
1-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 62472893
2-[5-[(1S)-1-amino-2-methylbutyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 104900337
3-methylsulfanyl-1-(3-propyl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 43670404
4-[(2R)-2-amino-2-[3-(2-hydroxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol
CID 104905807
1-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 115345285
1-(3-butyl-1,2,4-oxadiazol-5-yl)-3-methylsulfanylpropan-1-amine
CID 79405955
1-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 62552583

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(1S)-1-aminobutyl]-1,2,4-oxadiazol-3-yl]ethanol?
The IUPAC name of 2-[5-[(1S)-1-aminobutyl]-1,2,4-oxadiazol-3-yl]ethanol (CID 107565558) is 2-[5-[(1S)-1-aminobutyl]-1,2,4-oxadiazol-3-yl]ethanol.
What is the SMILES notation for 2-[5-[(1S)-1-aminobutyl]-1,2,4-oxadiazol-3-yl]ethanol?
The canonical SMILES for 2-[5-[(1S)-1-aminobutyl]-1,2,4-oxadiazol-3-yl]ethanol is CCC[C@H](N)c1nc(CCO)no1.
What is the InChIKey of 2-[5-[(1S)-1-aminobutyl]-1,2,4-oxadiazol-3-yl]ethanol?
The InChIKey is ZWLGCJWNUCTPFM-LURJTMIESA-N. The full InChI is InChI=1S/C8H15N3O2/c1-2-3-6(9)8-10-7(4-5-12)11-13-8/h6,12H,2-5,9H2,1H3/t6-/m0/s1.
What are the key properties of 2-[5-[(1S)-1-aminobutyl]-1,2,4-oxadiazol-3-yl]ethanol?
2-[5-[(1S)-1-aminobutyl]-1,2,4-oxadiazol-3-yl]ethanol has a molecular weight of 185.23 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(1S)-1-aminobutyl]-1,2,4-oxadiazol-3-yl]ethanol is sourced from PubChem (CID 107565558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).