2-[5-(2,4-dimethylphenyl)pyrimidin-2-yl]-5-(methoxymethyl)-1,3,4-oxadiazole

C16H16N4O2 — CID 143019155

IUPAC2-[5-(2,4-dimethylphenyl)pyrimidin-2-yl]-5-(methoxymethyl)-1,3,4-oxadiazole
SMILESCOCc1nnc(-c2ncc(-c3ccc(C)cc3C)cn2)o1
InChIInChI=1S/C16H16N4O2/c1-10-4-5-13(11(2)6-10)12-7-17-15(18-8-12)16-20-19-14(22-16)9-21-3/h4-8H,9H2,1-3H3
InChIKeyPTJJZVUKNLOZLS-UHFFFAOYSA-N
MW296.33 g/mol
LogP2.96
Rot. Bonds4

About 2-[5-(2,4-dimethylphenyl)pyrimidin-2-yl]-5-(methoxymethyl)-1,3,4-oxadiazole

2-[5-(2,4-dimethylphenyl)pyrimidin-2-yl]-5-(methoxymethyl)-1,3,4-oxadiazole (PubChem CID 143019155) has the molecular formula C16H16N4O2 and a molecular weight of 296.33 g/mol. Its IUPAC name is 2-[5-(2,4-dimethylphenyl)pyrimidin-2-yl]-5-(methoxymethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[5-(2,4-dimethylphenyl)pyrimidin-2-yl]-5-(methoxymethyl)-1,3,4-oxadiazole
PubChem CID143019155
Molecular FormulaC16H16N4O2
Molecular Weight296.33 g/mol
Exact Mass296.13
IUPAC Name2-[5-(2,4-dimethylphenyl)pyrimidin-2-yl]-5-(methoxymethyl)-1,3,4-oxadiazole
SMILESCOCc1nnc(-c2ncc(-c3ccc(C)cc3C)cn2)o1
InChIInChI=1S/C16H16N4O2/c1-10-4-5-13(11(2)6-10)12-7-17-15(18-8-12)16-20-19-14(22-16)9-21-3/h4-8H,9H2,1-3H3
InChIKeyPTJJZVUKNLOZLS-UHFFFAOYSA-N
XLogP2.96
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(methoxymethyl)-5-(2-methylphenyl)-1,3,4-oxadiazole
CID 53017493
5-(2,4-dimethylphenyl)-N-propan-2-ylpyrimidin-2-amine
CID 116977198
2-(methoxymethyl)-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 67274190
2-(methoxymethyl)-5-(3-methylthiophen-2-yl)-1,3,4-oxadiazole
CID 53017537
3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 55039266
2-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-N-ethylethanamine
CID 62163779
5-(2,4-dimethylphenyl)-2-methoxypyridine-3-carboxylic acid
CID 53222707
3-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
CID 54928865
2-[(2-methoxy-4-methylphenoxy)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 110655620
2-(2,4-dimethylphenyl)-5-methyl-1,3-oxazole
CID 141095214
2-[(2-bromo-4-methylphenoxy)methyl]-5-phenyl-1,3,4-oxadiazole
CID 16583524
2-(3-methylphenyl)-5-[(2,3,6-trimethylphenoxy)methyl]-1,3,4-oxadiazole
CID 110655612

Frequently Asked Questions

What is the IUPAC name of 2-[5-(2,4-dimethylphenyl)pyrimidin-2-yl]-5-(methoxymethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[5-(2,4-dimethylphenyl)pyrimidin-2-yl]-5-(methoxymethyl)-1,3,4-oxadiazole (CID 143019155) is 2-[5-(2,4-dimethylphenyl)pyrimidin-2-yl]-5-(methoxymethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[5-(2,4-dimethylphenyl)pyrimidin-2-yl]-5-(methoxymethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[5-(2,4-dimethylphenyl)pyrimidin-2-yl]-5-(methoxymethyl)-1,3,4-oxadiazole is COCc1nnc(-c2ncc(-c3ccc(C)cc3C)cn2)o1.
What is the InChIKey of 2-[5-(2,4-dimethylphenyl)pyrimidin-2-yl]-5-(methoxymethyl)-1,3,4-oxadiazole?
The InChIKey is PTJJZVUKNLOZLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O2/c1-10-4-5-13(11(2)6-10)12-7-17-15(18-8-12)16-20-19-14(22-16)9-21-3/h4-8H,9H2,1-3H3.
What are the key properties of 2-[5-(2,4-dimethylphenyl)pyrimidin-2-yl]-5-(methoxymethyl)-1,3,4-oxadiazole?
2-[5-(2,4-dimethylphenyl)pyrimidin-2-yl]-5-(methoxymethyl)-1,3,4-oxadiazole has a molecular weight of 296.33 g/mol, XLogP of 2.96, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(2,4-dimethylphenyl)pyrimidin-2-yl]-5-(methoxymethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 143019155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).