2-methyl-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenol

C13H10N4O2 — CID 137012864

IUPAC2-methyl-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenol
SMILESCc1cccc(-c2nc(-c3ccncn3)no2)c1O
InChIInChI=1S/C13H10N4O2/c1-8-3-2-4-9(11(8)18)13-16-12(17-19-13)10-5-6-14-7-15-10/h2-7,18H,1H3
InChIKeyDWGIXOUEXCSMGR-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.21
Rot. Bonds2

About 2-methyl-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenol

2-methyl-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenol (PubChem CID 137012864) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-methyl-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenol.

Molecular Properties

Compound Name2-methyl-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenol
PubChem CID137012864
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC Name2-methyl-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenol
SMILESCc1cccc(-c2nc(-c3ccncn3)no2)c1O
InChIInChI=1S/C13H10N4O2/c1-8-3-2-4-9(11(8)18)13-16-12(17-19-13)10-5-6-14-7-15-10/h2-7,18H,1H3
InChIKeyDWGIXOUEXCSMGR-UHFFFAOYSA-N
XLogP2.21
TPSA84.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.25
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenol?
The IUPAC name of 2-methyl-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenol (CID 137012864) is 2-methyl-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenol.
What is the SMILES notation for 2-methyl-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenol?
The canonical SMILES for 2-methyl-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenol is Cc1cccc(-c2nc(-c3ccncn3)no2)c1O.
What is the InChIKey of 2-methyl-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenol?
The InChIKey is DWGIXOUEXCSMGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c1-8-3-2-4-9(11(8)18)13-16-12(17-19-13)10-5-6-14-7-15-10/h2-7,18H,1H3.
What are the key properties of 2-methyl-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenol?
2-methyl-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenol has a molecular weight of 254.25 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(3-pyrimidin-4-yl-1,2,4-oxadiazol-5-yl)phenol is sourced from PubChem (CID 137012864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).