3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine;hydrochloride

C10H18ClN3O2 — CID 120893845

IUPAC3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine;hydrochloride
SMILESCC(N)C(C)c1nc(C2CCCO2)no1.Cl
InChIInChI=1S/C10H17N3O2.ClH/c1-6(7(2)11)10-12-9(13-15-10)8-4-3-5-14-8;/h6-8H,3-5,11H2,1-2H3;1H
InChIKeyNGHFAQNKJUFIHE-UHFFFAOYSA-N
MW247.73 g/mol
LogP1.79
Rot. Bonds3

About 3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine;hydrochloride

3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine;hydrochloride (PubChem CID 120893845) has the molecular formula C10H18ClN3O2 and a molecular weight of 247.73 g/mol. Its IUPAC name is 3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine;hydrochloride.

Molecular Properties

Compound Name3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine;hydrochloride
PubChem CID120893845
Molecular FormulaC10H18ClN3O2
Molecular Weight247.73 g/mol
Exact Mass247.11
IUPAC Name3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine;hydrochloride
SMILESCC(N)C(C)c1nc(C2CCCO2)no1.Cl
InChIInChI=1S/C10H17N3O2.ClH/c1-6(7(2)11)10-12-9(13-15-10)8-4-3-5-14-8;/h6-8H,3-5,11H2,1-2H3;1H
InChIKeyNGHFAQNKJUFIHE-UHFFFAOYSA-N
XLogP1.79
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.73
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine;hydrochloride 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

(2R)-2-amino-2-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]ethanol
CID 104915770
4-methyl-3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]pentan-2-ol
CID 65328283
(1R)-3-methylsulfanyl-1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104909472
3-methyl-1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65330095
3-[3-(3,4,6,7,8,8a-hexahydro-1H-pyrrolo[2,1-c][1,4]oxazin-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 79086051
2,2,2-trifluoro-N-[(1S)-2-methyl-1-[3-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-5-yl]propyl]acetamide
CID 124726784
1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-2-methylpropan-1-amine
CID 64981709
1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 65328398
(1S)-2-(1-benzylimidazol-4-yl)-1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine;hydrochloride
CID 120893798
1-[3-(4-propan-2-ylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 79657430
(1R)-1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 104880933
3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63346025

Frequently Asked Questions

What is the IUPAC name of 3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine;hydrochloride?
The IUPAC name of 3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine;hydrochloride (CID 120893845) is 3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine;hydrochloride.
What is the SMILES notation for 3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine;hydrochloride?
The canonical SMILES for 3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine;hydrochloride is CC(N)C(C)c1nc(C2CCCO2)no1.Cl.
What is the InChIKey of 3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine;hydrochloride?
The InChIKey is NGHFAQNKJUFIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O2.ClH/c1-6(7(2)11)10-12-9(13-15-10)8-4-3-5-14-8;/h6-8H,3-5,11H2,1-2H3;1H.
What are the key properties of 3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine;hydrochloride?
3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine;hydrochloride has a molecular weight of 247.73 g/mol, XLogP of 1.79, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine;hydrochloride is sourced from PubChem (CID 120893845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).