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

C17H17N5O — CID 154746852

IUPAC5-(2,4-dimethylpyrimidin-5-yl)-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole
SMILESCc1ncc(-c2nc(C3(c4ccncc4)CCC3)no2)c(C)n1
InChIInChI=1S/C17H17N5O/c1-11-14(10-19-12(2)20-11)15-21-16(22-23-15)17(6-3-7-17)13-4-8-18-9-5-13/h4-5,8-10H,3,6-7H2,1-2H3
InChIKeyKOELPASGOOZAOI-UHFFFAOYSA-N
MW307.36 g/mol
LogP3.01
Rot. Bonds3

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

5-(2,4-dimethylpyrimidin-5-yl)-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole (PubChem CID 154746852) has the molecular formula C17H17N5O and a molecular weight of 307.36 g/mol. Its IUPAC name is 5-(2,4-dimethylpyrimidin-5-yl)-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,4-dimethylpyrimidin-5-yl)-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole
PubChem CID154746852
Molecular FormulaC17H17N5O
Molecular Weight307.36 g/mol
Exact Mass307.14
IUPAC Name5-(2,4-dimethylpyrimidin-5-yl)-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole
SMILESCc1ncc(-c2nc(C3(c4ccncc4)CCC3)no2)c(C)n1
InChIInChI=1S/C17H17N5O/c1-11-14(10-19-12(2)20-11)15-21-16(22-23-15)17(6-3-7-17)13-4-8-18-9-5-13/h4-5,8-10H,3,6-7H2,1-2H3
InChIKeyKOELPASGOOZAOI-UHFFFAOYSA-N
XLogP3.01
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.36
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(1-pyridin-4-ylcyclobutyl)-5-pyrimidin-5-yl-1,2,4-oxadiazole
CID 154742790
5-but-2-en-2-yl-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole
CID 154744719
5-[(4-methyl-3-pyridinyl)methyl]-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole
CID 154742824
5-[2-(2,2-difluoroethyl)pyrazol-3-yl]-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole
CID 138005536
5-[2-(2-methoxypyrimidin-5-yl)ethenyl]-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole
CID 154747137
1,3-dimethyl-6-[3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazol-5-yl]thieno[2,3-d]pyrimidine-2,4-dione
CID 154744825
3-methyl-5-[4-[1-[5-(1-methylpyrazol-4-yl)-1,2,4-oxadiazol-3-yl]cyclobutyl]phenyl]pyrazin-2-amine
CID 56849054
4-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pyridin-3-ol
CID 136773857
1-[5-(4-methylquinolin-3-yl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859220
5-[4-[1-(5-pyridazin-3-yl-1,2,4-oxadiazol-3-yl)cyclobutyl]phenyl]pyrimidin-2-amine
CID 56848643
5-(2,4-dimethylpyrimidin-5-yl)-3-(6-propan-2-yl-3-pyridinyl)-1,2,4-oxadiazole
CID 136536975
5-(2-methylpyrimidin-5-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 99963071

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dimethylpyrimidin-5-yl)-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2,4-dimethylpyrimidin-5-yl)-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole (CID 154746852) is 5-(2,4-dimethylpyrimidin-5-yl)-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,4-dimethylpyrimidin-5-yl)-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,4-dimethylpyrimidin-5-yl)-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole is Cc1ncc(-c2nc(C3(c4ccncc4)CCC3)no2)c(C)n1.
What is the InChIKey of 5-(2,4-dimethylpyrimidin-5-yl)-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole?
The InChIKey is KOELPASGOOZAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O/c1-11-14(10-19-12(2)20-11)15-21-16(22-23-15)17(6-3-7-17)13-4-8-18-9-5-13/h4-5,8-10H,3,6-7H2,1-2H3.
What are the key properties of 5-(2,4-dimethylpyrimidin-5-yl)-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole?
5-(2,4-dimethylpyrimidin-5-yl)-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole has a molecular weight of 307.36 g/mol, XLogP of 3.01, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dimethylpyrimidin-5-yl)-3-(1-pyridin-4-ylcyclobutyl)-1,2,4-oxadiazole is sourced from PubChem (CID 154746852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).