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

C9H16N2O3 — CID 79200735

IUPAC3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
SMILESCCOC(C)c1noc(CCCO)n1
InChIInChI=1S/C9H16N2O3/c1-3-13-7(2)9-10-8(14-11-9)5-4-6-12/h7,12H,3-6H2,1-2H3
InChIKeyZQJXDZIJNMXWLL-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.09
Rot. Bonds6

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

3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-ol (PubChem CID 79200735) has the molecular formula C9H16N2O3 and a molecular weight of 200.24 g/mol. Its IUPAC name is 3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-ol.

Molecular Properties

Compound Name3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
PubChem CID79200735
Molecular FormulaC9H16N2O3
Molecular Weight200.24 g/mol
Exact Mass200.12
IUPAC Name3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
SMILESCCOC(C)c1noc(CCCO)n1
InChIInChI=1S/C9H16N2O3/c1-3-13-7(2)9-10-8(14-11-9)5-4-6-12/h7,12H,3-6H2,1-2H3
InChIKeyZQJXDZIJNMXWLL-UHFFFAOYSA-N
XLogP1.09
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
The IUPAC name of 3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-ol (CID 79200735) is 3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-ol.
What is the SMILES notation for 3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
The canonical SMILES for 3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-ol is CCOC(C)c1noc(CCCO)n1.
What is the InChIKey of 3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
The InChIKey is ZQJXDZIJNMXWLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O3/c1-3-13-7(2)9-10-8(14-11-9)5-4-6-12/h7,12H,3-6H2,1-2H3.
What are the key properties of 3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-ol?
3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-ol has a molecular weight of 200.24 g/mol, XLogP of 1.09, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-ethoxyethyl)-1,2,4-oxadiazol-5-yl]propan-1-ol is sourced from PubChem (CID 79200735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).