5-(2-methoxypyrimidin-5-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole

C14H12N4O2 — CID 119103240

IUPAC5-(2-methoxypyrimidin-5-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole
SMILESCOc1ncc(-c2nc(-c3cccc(C)c3)no2)cn1
InChIInChI=1S/C14H12N4O2/c1-9-4-3-5-10(6-9)12-17-13(20-18-12)11-7-15-14(19-2)16-8-11/h3-8H,1-2H3
InChIKeyJUEDALOENWZPHT-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.51
Rot. Bonds3

About 5-(2-methoxypyrimidin-5-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole

5-(2-methoxypyrimidin-5-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole (PubChem CID 119103240) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 5-(2-methoxypyrimidin-5-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-methoxypyrimidin-5-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole
PubChem CID119103240
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name5-(2-methoxypyrimidin-5-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole
SMILESCOc1ncc(-c2nc(-c3cccc(C)c3)no2)cn1
InChIInChI=1S/C14H12N4O2/c1-9-4-3-5-10(6-9)12-17-13(20-18-12)11-7-15-14(19-2)16-8-11/h3-8H,1-2H3
InChIKeyJUEDALOENWZPHT-UHFFFAOYSA-N
XLogP2.51
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3-methylphenyl)-5-phenyl-1,2,4-oxadiazole
CID 2239223
5-(2-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 2243275
3-(3-methylphenyl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 2237693
3-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
CID 75527889
5-(2-bromo-5-methoxyphenyl)-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 2742649
5-[6-[4-(2-methoxyphenyl)piperazin-1-yl]-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 53126729
2-methyl-5-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 63850250
3-[3-methoxy-4-[(3-methoxyphenyl)methoxy]phenyl]-5-(3-methylphenyl)-1,2,4-oxadiazole
CID 42851492
3-(3-methylphenyl)-5-(4-pyrrol-1-ylphenyl)-1,2,4-oxadiazole
CID 134593682
3-(3-methylphenyl)-1,2,4-oxadiazol-5-amine
CID 62471073
5-[6-(4-ethylpiperazin-1-yl)-3-pyridinyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
CID 53037210
3-(2-methoxy-4-pyridinyl)-5-pyridin-3-yl-1,2,4-oxadiazole
CID 95907164

Frequently Asked Questions

What is the IUPAC name of 5-(2-methoxypyrimidin-5-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-methoxypyrimidin-5-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole (CID 119103240) is 5-(2-methoxypyrimidin-5-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-methoxypyrimidin-5-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-methoxypyrimidin-5-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole is COc1ncc(-c2nc(-c3cccc(C)c3)no2)cn1.
What is the InChIKey of 5-(2-methoxypyrimidin-5-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is JUEDALOENWZPHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-9-4-3-5-10(6-9)12-17-13(20-18-12)11-7-15-14(19-2)16-8-11/h3-8H,1-2H3.
What are the key properties of 5-(2-methoxypyrimidin-5-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole?
5-(2-methoxypyrimidin-5-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 268.28 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methoxypyrimidin-5-yl)-3-(3-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 119103240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).