5-(5,6-dimethyl-2-pyridinyl)-3-(4-pyrimidin-2-yloxyphenyl)-1,2,4-oxadiazole

C19H15N5O2 — CID 138008093

IUPAC5-(5,6-dimethyl-2-pyridinyl)-3-(4-pyrimidin-2-yloxyphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc(-c3ccc(Oc4ncccn4)cc3)no2)nc1C
InChIInChI=1S/C19H15N5O2/c1-12-4-9-16(22-13(12)2)18-23-17(24-26-18)14-5-7-15(8-6-14)25-19-20-10-3-11-21-19/h3-11H,1-2H3
InChIKeyWYGCJUQILFNJLF-UHFFFAOYSA-N
MW345.36 g/mol
LogP4.00
Rot. Bonds4

About 5-(5,6-dimethyl-2-pyridinyl)-3-(4-pyrimidin-2-yloxyphenyl)-1,2,4-oxadiazole

5-(5,6-dimethyl-2-pyridinyl)-3-(4-pyrimidin-2-yloxyphenyl)-1,2,4-oxadiazole (PubChem CID 138008093) has the molecular formula C19H15N5O2 and a molecular weight of 345.36 g/mol. Its IUPAC name is 5-(5,6-dimethyl-2-pyridinyl)-3-(4-pyrimidin-2-yloxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5,6-dimethyl-2-pyridinyl)-3-(4-pyrimidin-2-yloxyphenyl)-1,2,4-oxadiazole
PubChem CID138008093
Molecular FormulaC19H15N5O2
Molecular Weight345.36 g/mol
Exact Mass345.12
IUPAC Name5-(5,6-dimethyl-2-pyridinyl)-3-(4-pyrimidin-2-yloxyphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2nc(-c3ccc(Oc4ncccn4)cc3)no2)nc1C
InChIInChI=1S/C19H15N5O2/c1-12-4-9-16(22-13(12)2)18-23-17(24-26-18)14-5-7-15(8-6-14)25-19-20-10-3-11-21-19/h3-11H,1-2H3
InChIKeyWYGCJUQILFNJLF-UHFFFAOYSA-N
XLogP4.00
TPSA86.82 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.36
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-[4-(4-methylphenoxy)phenyl]-5-pyridin-2-yl-1,2,4-oxadiazole
CID 53103262
5-(1-cyclopropyl-1-methoxyethyl)-3-(4-pyrimidin-2-yloxyphenyl)-1,2,4-oxadiazole
CID 139004786
3-(4-phenylmethoxyphenyl)-5-pyridin-2-yl-1,2,4-oxadiazole
CID 6464068
3-methyl-4-[3-(4-phenoxyphenyl)-1,2,4-oxadiazol-5-yl]phenol
CID 172890266
5-(4-methylphenyl)-3-[4-[(2-methylphenyl)methoxy]phenyl]-1,2,4-oxadiazole
CID 46044094
3-(4-ethoxyphenyl)-5-(3-methyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
CID 75527903
5-(4-ethoxyphenyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 867105
3-(4-methoxyphenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 16956622
5-(3-chloro-4-methylphenyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 705865
N-(2-methylphenyl)-2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 25237779
N-(2-methylphenyl)-2-[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenoxy]acetamide
CID 46266748
N-(3,4-dimethylphenyl)-2-[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenoxy]acetamide
CID 25237785

Frequently Asked Questions

What is the IUPAC name of 5-(5,6-dimethyl-2-pyridinyl)-3-(4-pyrimidin-2-yloxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(5,6-dimethyl-2-pyridinyl)-3-(4-pyrimidin-2-yloxyphenyl)-1,2,4-oxadiazole (CID 138008093) is 5-(5,6-dimethyl-2-pyridinyl)-3-(4-pyrimidin-2-yloxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5,6-dimethyl-2-pyridinyl)-3-(4-pyrimidin-2-yloxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(5,6-dimethyl-2-pyridinyl)-3-(4-pyrimidin-2-yloxyphenyl)-1,2,4-oxadiazole is Cc1ccc(-c2nc(-c3ccc(Oc4ncccn4)cc3)no2)nc1C.
What is the InChIKey of 5-(5,6-dimethyl-2-pyridinyl)-3-(4-pyrimidin-2-yloxyphenyl)-1,2,4-oxadiazole?
The InChIKey is WYGCJUQILFNJLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N5O2/c1-12-4-9-16(22-13(12)2)18-23-17(24-26-18)14-5-7-15(8-6-14)25-19-20-10-3-11-21-19/h3-11H,1-2H3.
What are the key properties of 5-(5,6-dimethyl-2-pyridinyl)-3-(4-pyrimidin-2-yloxyphenyl)-1,2,4-oxadiazole?
5-(5,6-dimethyl-2-pyridinyl)-3-(4-pyrimidin-2-yloxyphenyl)-1,2,4-oxadiazole has a molecular weight of 345.36 g/mol, XLogP of 4.00, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5,6-dimethyl-2-pyridinyl)-3-(4-pyrimidin-2-yloxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 138008093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).