2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine

C9H15N3O2 — CID 62652420

IUPAC2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCC(CN)c1noc(C2CCCO2)n1
InChIInChI=1S/C9H15N3O2/c1-6(5-10)8-11-9(14-12-8)7-3-2-4-13-7/h6-7H,2-5,10H2,1H3
InChIKeyKFDDPXURWGDCDV-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.98
Rot. Bonds3

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

2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine (PubChem CID 62652420) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine.

Molecular Properties

Compound Name2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
PubChem CID62652420
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCC(CN)c1noc(C2CCCO2)n1
InChIInChI=1S/C9H15N3O2/c1-6(5-10)8-11-9(14-12-8)7-3-2-4-13-7/h6-7H,2-5,10H2,1H3
InChIKeyKFDDPXURWGDCDV-UHFFFAOYSA-N
XLogP0.98
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

2-[5-(2-adamantyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 81095880
5-[(2R)-oxolan-2-yl]-3-prop-2-enyl-1,2,4-oxadiazole
CID 130611413
2-[5-(2,3-dihydro-1-benzothiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 79206750
N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1-[5-[(2S)-oxolan-2-yl]-1,2,4-oxadiazol-3-yl]methanamine
CID 124754936
2-[5-(1-methylcyclobutyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 131154498
[4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 79526334
2-methyl-1-[5-(oxan-3-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 63014392
1-[5-[(2R)-morpholin-2-yl]-1,2,4-oxadiazol-3-yl]ethanamine;hydrochloride
CID 130683849
3-(azetidin-3-yl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole;hydrochloride
CID 131043141
5-[(2R)-oxolan-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95953302
3-methyl-1-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 65330095
[(3R)-3-[3-[(2S)-butan-2-yl]-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-[(2R)-oxolan-2-yl]methanone
CID 124871179

Frequently Asked Questions

What is the IUPAC name of 2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The IUPAC name of 2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine (CID 62652420) is 2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine.
What is the SMILES notation for 2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The canonical SMILES for 2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine is CC(CN)c1noc(C2CCCO2)n1.
What is the InChIKey of 2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The InChIKey is KFDDPXURWGDCDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-6(5-10)8-11-9(14-12-8)7-3-2-4-13-7/h6-7H,2-5,10H2,1H3.
What are the key properties of 2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine has a molecular weight of 197.24 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(oxolan-2-yl)-1,2,4-oxadiazol-3-yl]propan-1-amine is sourced from PubChem (CID 62652420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).