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

C13H10N4O2 — CID 82830253

IUPAC2-methyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenol
SMILESCc1c(O)cccc1-c1nc(-c2ncccn2)no1
InChIInChI=1S/C13H10N4O2/c1-8-9(4-2-5-10(8)18)13-16-12(17-19-13)11-14-6-3-7-15-11/h2-7,18H,1H3
InChIKeyJRJPUKYMZKBZNB-UHFFFAOYSA-N
MW254.25 g/mol
LogP2.21
Rot. Bonds2

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

2-methyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenol (PubChem CID 82830253) has the molecular formula C13H10N4O2 and a molecular weight of 254.25 g/mol. Its IUPAC name is 2-methyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenol.

Molecular Properties

Compound Name2-methyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenol
PubChem CID82830253
Molecular FormulaC13H10N4O2
Molecular Weight254.25 g/mol
Exact Mass254.08
IUPAC Name2-methyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenol
SMILESCc1c(O)cccc1-c1nc(-c2ncccn2)no1
InChIInChI=1S/C13H10N4O2/c1-8-9(4-2-5-10(8)18)13-16-12(17-19-13)11-14-6-3-7-15-11/h2-7,18H,1H3
InChIKeyJRJPUKYMZKBZNB-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-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenol?
The IUPAC name of 2-methyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenol (CID 82830253) is 2-methyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenol.
What is the SMILES notation for 2-methyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenol?
The canonical SMILES for 2-methyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenol is Cc1c(O)cccc1-c1nc(-c2ncccn2)no1.
What is the InChIKey of 2-methyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenol?
The InChIKey is JRJPUKYMZKBZNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O2/c1-8-9(4-2-5-10(8)18)13-16-12(17-19-13)11-14-6-3-7-15-11/h2-7,18H,1H3.
What are the key properties of 2-methyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenol?
2-methyl-3-(3-pyrimidin-2-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-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenol is sourced from PubChem (CID 82830253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).