[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]methanol

C9H14N2O3 — CID 102660318

IUPAC[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]methanol
SMILESOCc1noc(CCC2CCCO2)n1
InChIInChI=1S/C9H14N2O3/c12-6-8-10-9(14-11-8)4-3-7-2-1-5-13-7/h7,12H,1-6H2
InChIKeyYBNWCFCMSKCVPX-UHFFFAOYSA-N
MW198.22 g/mol
LogP0.67
Rot. Bonds4

About [5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]methanol

[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]methanol (PubChem CID 102660318) has the molecular formula C9H14N2O3 and a molecular weight of 198.22 g/mol. Its IUPAC name is [5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]methanol.

Molecular Properties

Compound Name[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]methanol
PubChem CID102660318
Molecular FormulaC9H14N2O3
Molecular Weight198.22 g/mol
Exact Mass198.10
IUPAC Name[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]methanol
SMILESOCc1noc(CCC2CCCO2)n1
InChIInChI=1S/C9H14N2O3/c12-6-8-10-9(14-11-8)4-3-7-2-1-5-13-7/h7,12H,1-6H2
InChIKeyYBNWCFCMSKCVPX-UHFFFAOYSA-N
XLogP0.67
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.22
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]methyl]ethanamine
CID 65159673
3-iodo-5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazole
CID 112572494
1-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]propan-1-ol
CID 103096278
1-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120852435
5-(3-chloropropyl)-3-(oxolan-2-ylmethyl)-1,2,4-oxadiazole
CID 43513448
4-[2-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]phenol
CID 45251452
3-(chloromethyl)-5-(oxolan-2-ylmethyl)-1,2,4-oxadiazole
CID 65155797
[5-[2-(oxolan-2-yl)ethyl]-1,3,4-oxadiazol-2-yl]methanamine
CID 65159736
N-methyl-3-[5-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 115078241
2-[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637302
2-methyl-4-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 113391174
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3-(oxolan-2-yl)propan-1-amine
CID 104871455

Frequently Asked Questions

What is the IUPAC name of [5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]methanol?
The IUPAC name of [5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]methanol (CID 102660318) is [5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]methanol.
What is the SMILES notation for [5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]methanol?
The canonical SMILES for [5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]methanol is OCc1noc(CCC2CCCO2)n1.
What is the InChIKey of [5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]methanol?
The InChIKey is YBNWCFCMSKCVPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14N2O3/c12-6-8-10-9(14-11-8)4-3-7-2-1-5-13-7/h7,12H,1-6H2.
What are the key properties of [5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]methanol?
[5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]methanol has a molecular weight of 198.22 g/mol, XLogP of 0.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[2-(oxolan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]methanol is sourced from PubChem (CID 102660318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).