3-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol

C13H20N2O4 — CID 106474214

IUPAC3-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
SMILESOC1CCOCC1c1nc(CC2CCCCO2)no1
InChIInChI=1S/C13H20N2O4/c16-11-4-6-17-8-10(11)13-14-12(15-19-13)7-9-3-1-2-5-18-9/h9-11,16H,1-8H2
InChIKeyAOFZPXYSSJYVGZ-UHFFFAOYSA-N
MW268.31 g/mol
LogP1.05
Rot. Bonds3

About 3-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol

3-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol (PubChem CID 106474214) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 3-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol.

Molecular Properties

Compound Name3-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
PubChem CID106474214
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name3-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
SMILESOC1CCOCC1c1nc(CC2CCCCO2)no1
InChIInChI=1S/C13H20N2O4/c16-11-4-6-17-8-10(11)13-14-12(15-19-13)7-9-3-1-2-5-18-9/h9-11,16H,1-8H2
InChIKeyAOFZPXYSSJYVGZ-UHFFFAOYSA-N
XLogP1.05
TPSA77.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 113391148
5-(oxan-4-yl)-3-[[(2S)-oxan-2-yl]methyl]-1,2,4-oxadiazole
CID 100676834
3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474072
3-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474127
3-(oxan-2-ylmethyl)-5-piperidin-4-yl-1,2,4-oxadiazole
CID 113391173
3-[3-[(2,6-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474109
3-[3-[(6-methoxy-3-pyridinyl)methyl]-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474173
N-methyl-2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 63347343
3-[3-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474101
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxan-4-ol
CID 106474029
3-(oxolan-2-ylmethyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 103832525
3-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474212

Frequently Asked Questions

What is the IUPAC name of 3-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol?
The IUPAC name of 3-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol (CID 106474214) is 3-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol.
What is the SMILES notation for 3-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol?
The canonical SMILES for 3-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol is OC1CCOCC1c1nc(CC2CCCCO2)no1.
What is the InChIKey of 3-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol?
The InChIKey is AOFZPXYSSJYVGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c16-11-4-6-17-8-10(11)13-14-12(15-19-13)7-9-3-1-2-5-18-9/h9-11,16H,1-8H2.
What are the key properties of 3-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol?
3-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol has a molecular weight of 268.31 g/mol, XLogP of 1.05, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol is sourced from PubChem (CID 106474214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).