3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propane-1,2-diol

C7H13N3O3 — CID 106399669

IUPAC3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propane-1,2-diol
SMILESOCC(O)CNCCc1ncno1
InChIInChI=1S/C7H13N3O3/c11-4-6(12)3-8-2-1-7-9-5-10-13-7/h5-6,8,11-12H,1-4H2
InChIKeyZLALLAOVUDPLFB-UHFFFAOYSA-N
MW187.20 g/mol
LogP-1.45
Rot. Bonds6

About 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propane-1,2-diol

3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propane-1,2-diol (PubChem CID 106399669) has the molecular formula C7H13N3O3 and a molecular weight of 187.20 g/mol. Its IUPAC name is 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propane-1,2-diol.

Molecular Properties

Compound Name3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propane-1,2-diol
PubChem CID106399669
Molecular FormulaC7H13N3O3
Molecular Weight187.20 g/mol
Exact Mass187.10
IUPAC Name3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propane-1,2-diol
SMILESOCC(O)CNCCc1ncno1
InChIInChI=1S/C7H13N3O3/c11-4-6(12)3-8-2-1-7-9-5-10-13-7/h5-6,8,11-12H,1-4H2
InChIKeyZLALLAOVUDPLFB-UHFFFAOYSA-N
XLogP-1.45
TPSA91.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 5-1.45
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propane-1,2-diol 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-(2-methylpropoxy)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol
CID 114183958
2-ethyl-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine
CID 103838479
1-hexoxy-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol
CID 106399827
1-[(4-chlorophenyl)methoxy]-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol
CID 106400203
1-(4-chloro-3-methylphenoxy)-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol
CID 106399572
2-[2-(1,2,4-oxadiazol-5-yl)ethylamino]acetonitrile
CID 106399744
2-(1,2,4-oxadiazol-5-yl)-N-(1,3-thiazol-2-ylmethyl)ethanamine
CID 103744486
(E)-4-chloro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]but-2-en-1-amine
CID 106399894
(2S)-3-(2-pyridin-2-ylethylamino)propane-1,2-diol
CID 61149855
4,4,4-trifluoro-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine
CID 106399868
4-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-1-amine
CID 106399897
3-[2-(4-methyl-1,3-thiazol-5-yl)ethylamino]propane-1,2-diol
CID 66168458

Frequently Asked Questions

What is the IUPAC name of 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propane-1,2-diol?
The IUPAC name of 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propane-1,2-diol (CID 106399669) is 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propane-1,2-diol.
What is the SMILES notation for 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propane-1,2-diol?
The canonical SMILES for 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propane-1,2-diol is OCC(O)CNCCc1ncno1.
What is the InChIKey of 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propane-1,2-diol?
The InChIKey is ZLALLAOVUDPLFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O3/c11-4-6(12)3-8-2-1-7-9-5-10-13-7/h5-6,8,11-12H,1-4H2.
What are the key properties of 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propane-1,2-diol?
3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propane-1,2-diol has a molecular weight of 187.20 g/mol, XLogP of -1.45, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propane-1,2-diol is sourced from PubChem (CID 106399669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).