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

C13H11N5O2 — CID 99962939

IUPAC2-(2-methoxy-3-pyridinyl)-5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazole
SMILESCOc1ncccc1-c1nnc(-c2cncnc2C)o1
InChIInChI=1S/C13H11N5O2/c1-8-10(6-14-7-16-8)13-18-17-12(20-13)9-4-3-5-15-11(9)19-2/h3-7H,1-2H3
InChIKeyQHHYBRPOLWXRCY-UHFFFAOYSA-N
MW269.26 g/mol
LogP1.91
Rot. Bonds3

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

2-(2-methoxy-3-pyridinyl)-5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazole (PubChem CID 99962939) has the molecular formula C13H11N5O2 and a molecular weight of 269.26 g/mol. Its IUPAC name is 2-(2-methoxy-3-pyridinyl)-5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(2-methoxy-3-pyridinyl)-5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazole
PubChem CID99962939
Molecular FormulaC13H11N5O2
Molecular Weight269.26 g/mol
Exact Mass269.09
IUPAC Name2-(2-methoxy-3-pyridinyl)-5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazole
SMILESCOc1ncccc1-c1nnc(-c2cncnc2C)o1
InChIInChI=1S/C13H11N5O2/c1-8-10(6-14-7-16-8)13-18-17-12(20-13)9-4-3-5-15-11(9)19-2/h3-7H,1-2H3
InChIKeyQHHYBRPOLWXRCY-UHFFFAOYSA-N
XLogP1.91
TPSA86.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.26
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

2-(4-methylpyrimidin-5-yl)-5-pyridin-2-yl-1,3,4-oxadiazole
CID 99962926
2-(4-methylpyrimidin-5-yl)-5-pyridin-3-yl-1,3,4-oxadiazole
CID 99962927
[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-phenylmethanamine
CID 62873983
4-methoxy-5-(3-methoxy-2-pyridinyl)pyrimidine
CID 173069902
2-methyl-5-(2-methyl-3-pyridinyl)-1,3,4-oxadiazole
CID 131089626
N-ethyl-3-[5-(2-methoxy-3-pyridinyl)-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62874487
2-(2-ethoxy-3-pyridinyl)-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 99962666
4-methoxy-5-thiophen-2-ylpyrimidine
CID 173254670
2-(6-chloro-2-methylimidazo[1,2-a]pyridin-3-yl)-5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazole
CID 99962935
2-methoxy-3-pyridin-2-ylpyridine
CID 90702321
3-(4-fluoro-2,5-dimethylphenyl)-2-methoxypyridine
CID 131981623
2-(2-methoxy-3-pyridinyl)-1,3-oxazole-4-carboxylic acid
CID 118224484

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxy-3-pyridinyl)-5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(2-methoxy-3-pyridinyl)-5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazole (CID 99962939) is 2-(2-methoxy-3-pyridinyl)-5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(2-methoxy-3-pyridinyl)-5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(2-methoxy-3-pyridinyl)-5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazole is COc1ncccc1-c1nnc(-c2cncnc2C)o1.
What is the InChIKey of 2-(2-methoxy-3-pyridinyl)-5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazole?
The InChIKey is QHHYBRPOLWXRCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N5O2/c1-8-10(6-14-7-16-8)13-18-17-12(20-13)9-4-3-5-15-11(9)19-2/h3-7H,1-2H3.
What are the key properties of 2-(2-methoxy-3-pyridinyl)-5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazole?
2-(2-methoxy-3-pyridinyl)-5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazole has a molecular weight of 269.26 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxy-3-pyridinyl)-5-(4-methylpyrimidin-5-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 99962939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).