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

C12H18N2O4 — CID 106474174

IUPAC3-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
SMILESCC1(c2noc(C3COCCC3O)n2)CCCO1
InChIInChI=1S/C12H18N2O4/c1-12(4-2-5-17-12)11-13-10(18-14-11)8-7-16-6-3-9(8)15/h8-9,15H,2-7H2,1H3
InChIKeyGLPCTHIMBUCYBF-UHFFFAOYSA-N
MW254.29 g/mol
LogP0.96
Rot. Bonds2

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

3-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol (PubChem CID 106474174) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is 3-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol.

Molecular Properties

Compound Name3-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
PubChem CID106474174
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Name3-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
SMILESCC1(c2noc(C3COCCC3O)n2)CCCO1
InChIInChI=1S/C12H18N2O4/c1-12(4-2-5-17-12)11-13-10(18-14-11)8-7-16-6-3-9(8)15/h8-9,15H,2-7H2,1H3
InChIKeyGLPCTHIMBUCYBF-UHFFFAOYSA-N
XLogP0.96
TPSA77.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 50.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-methyl-3-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 106474581
3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 106474609
N-methyl-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 80681119
3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]morpholine
CID 80690383
(1S,6R)-6-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohex-3-ene-1-carboxylic acid
CID 104963087
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)oxan-4-ol
CID 106474029
3-[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474072
3-[3-(1-methoxyethyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474163
5-ethyl-3-(2-methyloxolan-2-yl)-1,2,4-oxadiazole
CID 131065158
3-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474214
3-[3-(tert-butylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474127
4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine
CID 83192469

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol?
The IUPAC name of 3-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol (CID 106474174) is 3-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol.
What is the SMILES notation for 3-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol?
The canonical SMILES for 3-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol is CC1(c2noc(C3COCCC3O)n2)CCCO1.
What is the InChIKey of 3-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol?
The InChIKey is GLPCTHIMBUCYBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-12(4-2-5-17-12)11-13-10(18-14-11)8-7-16-6-3-9(8)15/h8-9,15H,2-7H2,1H3.
What are the key properties of 3-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol?
3-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol has a molecular weight of 254.29 g/mol, XLogP of 0.96, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol is sourced from PubChem (CID 106474174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).