1-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-3-propan-2-yloxypropan-2-ol

C10H19N3O3 — CID 106399577

IUPAC1-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CNCCc1ncno1
InChIInChI=1S/C10H19N3O3/c1-8(2)15-6-9(14)5-11-4-3-10-12-7-13-16-10/h7-9,11,14H,3-6H2,1-2H3
InChIKeyPOCUKUIRHIVNTA-UHFFFAOYSA-N
MW229.28 g/mol
LogP-0.01
Rot. Bonds8

About 1-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-3-propan-2-yloxypropan-2-ol

1-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-3-propan-2-yloxypropan-2-ol (PubChem CID 106399577) has the molecular formula C10H19N3O3 and a molecular weight of 229.28 g/mol. Its IUPAC name is 1-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-3-propan-2-yloxypropan-2-ol
PubChem CID106399577
Molecular FormulaC10H19N3O3
Molecular Weight229.28 g/mol
Exact Mass229.14
IUPAC Name1-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-3-propan-2-yloxypropan-2-ol
SMILESCC(C)OCC(O)CNCCc1ncno1
InChIInChI=1S/C10H19N3O3/c1-8(2)15-6-9(14)5-11-4-3-10-12-7-13-16-10/h7-9,11,14H,3-6H2,1-2H3
InChIKeyPOCUKUIRHIVNTA-UHFFFAOYSA-N
XLogP-0.01
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 5-0.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1,1,1-Trifluoro-3-[2-(1,2,4-oxadiazol-5-yl)ethylamino]propan-2-ol
CID 106399639
2-Amino-1-(1,2,4-oxadiazol-5-yl)ethanol
CID 102993788
1-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 103581787
2-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]propanamide
CID 103743977
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propan-2-yloxyacetamide
CID 103743998
N-[2-(1,2,4-oxadiazol-5-yl)ethyl]-2-propoxyacetamide
CID 103744014
2-ethoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 103744017
2-(2-methoxyethoxy)-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 103744018
1-Methoxy-3-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]propan-2-ol
CID 103931701
2-[(2-methylpropan-2-yl)oxy]-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]acetamide
CID 103943217
2-Methoxy-2-(1,2,4-oxadiazol-5-yl)ethanamine
CID 106109186
1-methoxy-N-[2-(1,2,4-oxadiazol-5-yl)ethyl]butan-2-amine
CID 106394275

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-3-propan-2-yloxypropan-2-ol (CID 106399577) is 1-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-3-propan-2-yloxypropan-2-ol is CC(C)OCC(O)CNCCc1ncno1.
What is the InChIKey of 1-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-3-propan-2-yloxypropan-2-ol?
The InChIKey is POCUKUIRHIVNTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H19N3O3/c1-8(2)15-6-9(14)5-11-4-3-10-12-7-13-16-10/h7-9,11,14H,3-6H2,1-2H3.
What are the key properties of 1-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-3-propan-2-yloxypropan-2-ol?
1-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-3-propan-2-yloxypropan-2-ol has a molecular weight of 229.28 g/mol, XLogP of -0.01, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,2,4-oxadiazol-5-yl)ethylamino]-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 106399577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).