1-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanol

C9H14N2O3 — CID 115077254

IUPAC1-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESCC(O)c1noc(CC2CCOC2)n1
InChIInChI=1S/C9H14N2O3/c1-6(12)9-10-8(14-11-9)4-7-2-3-13-5-7/h6-7,12H,2-5H2,1H3
InChIKeyHSZRKQCOIYGMOX-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.70
Rot. Bonds3

About 1-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanol

1-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanol (PubChem CID 115077254) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is 1-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanol.

Molecular Properties

Compound Name1-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanol
PubChem CID115077254
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name1-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanol
SMILESCC(O)c1noc(CC2CCOC2)n1
InChIInChI=1S/C9H14N2O3/c1-6(12)9-10-8(14-11-9)4-7-2-3-13-5-7/h6-7,12H,2-5H2,1H3
InChIKeyHSZRKQCOIYGMOX-UHFFFAOYSA-N
XLogP0.70
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 115077373
3-ethyl-5-[[(3R)-oxolan-3-yl]methyl]-1,2,4-oxadiazole
CID 131182892
4-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]phenol
CID 177135048
1-[2-(oxan-4-ylmethyl)-1,3-oxazol-4-yl]ethanol
CID 115082429
1-[2-(oxolan-3-ylmethyl)-1,3-oxazol-4-yl]propan-2-ol
CID 115082297
1-[5-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-1,2,4-oxadiazol-3-yl]ethanol
CID 115078118
1-[5-(oxan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 115078600
1-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862018
5-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 103985689
5-(oxolan-3-ylmethyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 115077336
(1S)-1-[4-methyl-2-(oxolan-3-ylmethyl)pyrimidin-5-yl]ethanol
CID 103431590
1-[5-(oxan-4-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 115077562

Frequently Asked Questions

What is the IUPAC name of 1-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanol?
The IUPAC name of 1-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanol (CID 115077254) is 1-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanol.
What is the SMILES notation for 1-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanol?
The canonical SMILES for 1-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanol is CC(O)c1noc(CC2CCOC2)n1.
What is the InChIKey of 1-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanol?
The InChIKey is HSZRKQCOIYGMOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c1-6(12)9-10-8(14-11-9)4-7-2-3-13-5-7/h6-7,12H,2-5H2,1H3.
What are the key properties of 1-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanol?
1-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanol has a molecular weight of 198.22 g/mol, XLogP of 0.70, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-3-yl]ethanol is sourced from PubChem (CID 115077254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).