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

C11H14N4O2 — CID 63345690

IUPAC3-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
SMILESCC(C)C(O)Cc1nc(-c2ncccn2)no1
InChIInChI=1S/C11H14N4O2/c1-7(2)8(16)6-9-14-11(15-17-9)10-12-4-3-5-13-10/h3-5,7-8,16H,6H2,1-2H3
InChIKeyHZCUUEJBXDEKLY-UHFFFAOYSA-N
MW234.26 g/mol
LogP1.09
Rot. Bonds4

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

3-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol (PubChem CID 63345690) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 3-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol.

Molecular Properties

Compound Name3-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
PubChem CID63345690
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name3-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
SMILESCC(C)C(O)Cc1nc(-c2ncccn2)no1
InChIInChI=1S/C11H14N4O2/c1-7(2)8(16)6-9-14-11(15-17-9)10-12-4-3-5-13-10/h3-5,7-8,16H,6H2,1-2H3
InChIKeyHZCUUEJBXDEKLY-UHFFFAOYSA-N
XLogP1.09
TPSA84.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol?
The IUPAC name of 3-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol (CID 63345690) is 3-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol.
What is the SMILES notation for 3-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol?
The canonical SMILES for 3-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol is CC(C)C(O)Cc1nc(-c2ncccn2)no1.
What is the InChIKey of 3-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol?
The InChIKey is HZCUUEJBXDEKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-7(2)8(16)6-9-14-11(15-17-9)10-12-4-3-5-13-10/h3-5,7-8,16H,6H2,1-2H3.
What are the key properties of 3-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol?
3-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol has a molecular weight of 234.26 g/mol, XLogP of 1.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol is sourced from PubChem (CID 63345690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).