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

C12H14N4O3 — CID 106474196

IUPAC3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
SMILESCc1nccc(-c2noc(C3COCCC3O)n2)n1
InChIInChI=1S/C12H14N4O3/c1-7-13-4-2-9(14-7)11-15-12(19-16-11)8-6-18-5-3-10(8)17/h2,4,8,10,17H,3,5-6H2,1H3
InChIKeyOKELXOLHLXGCDC-UHFFFAOYSA-N
MW262.27 g/mol
LogP0.70
Rot. Bonds2

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

3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol (PubChem CID 106474196) has the molecular formula C12H14N4O3 and a molecular weight of 262.27 g/mol. Its IUPAC name is 3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol.

Molecular Properties

Compound Name3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
PubChem CID106474196
Molecular FormulaC12H14N4O3
Molecular Weight262.27 g/mol
Exact Mass262.11
IUPAC Name3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
SMILESCc1nccc(-c2noc(C3COCCC3O)n2)n1
InChIInChI=1S/C12H14N4O3/c1-7-13-4-2-9(14-7)11-15-12(19-16-11)8-6-18-5-3-10(8)17/h2,4,8,10,17H,3,5-6H2,1H3
InChIKeyOKELXOLHLXGCDC-UHFFFAOYSA-N
XLogP0.70
TPSA94.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.27
LogP ≤ 50.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3-[3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474168
3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474258
3-[3-(3,5-dimethyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474212
N-methyl-4-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 115531494
3-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474069
3-[3-(3,5-dichlorophenyl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 107918226
3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103552121
3-(2-methylpyrimidin-4-yl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 113329250
2-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]morpholine
CID 113329298
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
5-(4-methoxypyrrolidin-2-yl)-3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazole
CID 115529362

Frequently Asked Questions

What is the IUPAC name of 3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol?
The IUPAC name of 3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol (CID 106474196) is 3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol.
What is the SMILES notation for 3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol?
The canonical SMILES for 3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol is Cc1nccc(-c2noc(C3COCCC3O)n2)n1.
What is the InChIKey of 3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol?
The InChIKey is OKELXOLHLXGCDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N4O3/c1-7-13-4-2-9(14-7)11-15-12(19-16-11)8-6-18-5-3-10(8)17/h2,4,8,10,17H,3,5-6H2,1H3.
What are the key properties of 3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol?
3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol has a molecular weight of 262.27 g/mol, XLogP of 0.70, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol is sourced from PubChem (CID 106474196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).