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

C12H16N4O2 — CID 63345917

IUPAC3,3-dimethyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
SMILESCC(C)(C)C(O)Cc1nc(-c2cnccn2)no1
InChIInChI=1S/C12H16N4O2/c1-12(2,3)9(17)6-10-15-11(16-18-10)8-7-13-4-5-14-8/h4-5,7,9,17H,6H2,1-3H3
InChIKeyOMHAFEQQYMDAMQ-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.48
Rot. Bonds3

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

3,3-dimethyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol (PubChem CID 63345917) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 3,3-dimethyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol.

Molecular Properties

Compound Name3,3-dimethyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
PubChem CID63345917
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name3,3-dimethyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
SMILESCC(C)(C)C(O)Cc1nc(-c2cnccn2)no1
InChIInChI=1S/C12H16N4O2/c1-12(2,3)9(17)6-10-15-11(16-18-10)8-7-13-4-5-14-8/h4-5,7,9,17H,6H2,1-3H3
InChIKeyOMHAFEQQYMDAMQ-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-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 63345875
1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63345918
3,3-dimethyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63345645
3,3-dimethyl-1-[3-(2-methylpyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 115531401
(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanol
CID 63758301
2-methyl-N-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 54924115
4-[1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]aniline
CID 104503160
3,3-dimethyl-1-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63344942
N-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 54924068
2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)pentan-3-ol
CID 55221009
4-methyl-N-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 60836264
(1R)-2-methyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propan-1-amine
CID 93298235

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol?
The IUPAC name of 3,3-dimethyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol (CID 63345917) is 3,3-dimethyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol.
What is the SMILES notation for 3,3-dimethyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol?
The canonical SMILES for 3,3-dimethyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol is CC(C)(C)C(O)Cc1nc(-c2cnccn2)no1.
What is the InChIKey of 3,3-dimethyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol?
The InChIKey is OMHAFEQQYMDAMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-12(2,3)9(17)6-10-15-11(16-18-10)8-7-13-4-5-14-8/h4-5,7,9,17H,6H2,1-3H3.
What are the key properties of 3,3-dimethyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol?
3,3-dimethyl-1-(3-pyrazin-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-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol is sourced from PubChem (CID 63345917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).