3,3-dimethyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol

C12H16N4O2 — CID 63345645

IUPAC3,3-dimethyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
SMILESCC(C)(C)C(O)Cc1nc(-c2ncccn2)no1
InChIInChI=1S/C12H16N4O2/c1-12(2,3)8(17)7-9-15-11(16-18-9)10-13-5-4-6-14-10/h4-6,8,17H,7H2,1-3H3
InChIKeyFBVISJLMWAAERC-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.48
Rot. Bonds3

About 3,3-dimethyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol

3,3-dimethyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol (PubChem CID 63345645) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 3,3-dimethyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol.

Molecular Properties

Compound Name3,3-dimethyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
PubChem CID63345645
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name3,3-dimethyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
SMILESCC(C)(C)C(O)Cc1nc(-c2ncccn2)no1
InChIInChI=1S/C12H16N4O2/c1-12(2,3)8(17)7-9-15-11(16-18-9)10-13-5-4-6-14-10/h4-6,8,17H,7H2,1-3H3
InChIKeyFBVISJLMWAAERC-UHFFFAOYSA-N
XLogP1.48
TPSA84.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1,1,1-trifluoro-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 63345603
3-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63345690
3,3-dimethyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-amine
CID 63348786
3,3-dimethyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63345917
3,3-dimethyl-1-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 115531401
3,3-dimethyl-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63344942
1-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-ol
CID 55201059
2-methyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)propanenitrile
CID 106523990
1-[3-(3-bromo-5-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-ol
CID 66423316
3,3-dimethyl-1-[3-[(2-methylphenyl)methyl]-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63349339
1-[3-(2-chloro-4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-3,3-dimethylbutan-2-ol
CID 63349225
2-methyl-N-[2-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 60837590

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol?
The IUPAC name of 3,3-dimethyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol (CID 63345645) is 3,3-dimethyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol.
What is the SMILES notation for 3,3-dimethyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol?
The canonical SMILES for 3,3-dimethyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol is CC(C)(C)C(O)Cc1nc(-c2ncccn2)no1.
What is the InChIKey of 3,3-dimethyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol?
The InChIKey is FBVISJLMWAAERC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-12(2,3)8(17)7-9-15-11(16-18-9)10-13-5-4-6-14-10/h4-6,8,17H,7H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol?
3,3-dimethyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol has a molecular weight of 248.29 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol is sourced from PubChem (CID 63345645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).