5-(2-methylpyrimidin-5-yl)-3-pyridin-4-yl-1,2,4-oxadiazole

C12H9N5O — CID 99963071

IUPAC5-(2-methylpyrimidin-5-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCc1ncc(-c2nc(-c3ccncc3)no2)cn1
InChIInChI=1S/C12H9N5O/c1-8-14-6-10(7-15-8)12-16-11(17-18-12)9-2-4-13-5-3-9/h2-7H,1H3
InChIKeyVYIHCVPQWPMLBK-UHFFFAOYSA-N
MW239.24 g/mol
LogP1.90
Rot. Bonds2

About 5-(2-methylpyrimidin-5-yl)-3-pyridin-4-yl-1,2,4-oxadiazole

5-(2-methylpyrimidin-5-yl)-3-pyridin-4-yl-1,2,4-oxadiazole (PubChem CID 99963071) has the molecular formula C12H9N5O and a molecular weight of 239.24 g/mol. Its IUPAC name is 5-(2-methylpyrimidin-5-yl)-3-pyridin-4-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-methylpyrimidin-5-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
PubChem CID99963071
Molecular FormulaC12H9N5O
Molecular Weight239.24 g/mol
Exact Mass239.08
IUPAC Name5-(2-methylpyrimidin-5-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
SMILESCc1ncc(-c2nc(-c3ccncc3)no2)cn1
InChIInChI=1S/C12H9N5O/c1-8-14-6-10(7-15-8)12-16-11(17-18-12)9-2-4-13-5-3-9/h2-7H,1H3
InChIKeyVYIHCVPQWPMLBK-UHFFFAOYSA-N
XLogP1.90
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.24
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpyrimidin-5-yl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(2-methylpyrimidin-5-yl)-3-pyridin-4-yl-1,2,4-oxadiazole (CID 99963071) is 5-(2-methylpyrimidin-5-yl)-3-pyridin-4-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-methylpyrimidin-5-yl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-methylpyrimidin-5-yl)-3-pyridin-4-yl-1,2,4-oxadiazole is Cc1ncc(-c2nc(-c3ccncc3)no2)cn1.
What is the InChIKey of 5-(2-methylpyrimidin-5-yl)-3-pyridin-4-yl-1,2,4-oxadiazole?
The InChIKey is VYIHCVPQWPMLBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N5O/c1-8-14-6-10(7-15-8)12-16-11(17-18-12)9-2-4-13-5-3-9/h2-7H,1H3.
What are the key properties of 5-(2-methylpyrimidin-5-yl)-3-pyridin-4-yl-1,2,4-oxadiazole?
5-(2-methylpyrimidin-5-yl)-3-pyridin-4-yl-1,2,4-oxadiazole has a molecular weight of 239.24 g/mol, XLogP of 1.90, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpyrimidin-5-yl)-3-pyridin-4-yl-1,2,4-oxadiazole is sourced from PubChem (CID 99963071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).