3-[3-[2-(2,2-dimethylpropyl)pyrimidin-4-yl]-2,2-dimethylpropyl]-5-methyl-1,2,4-oxadiazole

C17H26N4O — CID 167264079

IUPAC3-[3-[2-(2,2-dimethylpropyl)pyrimidin-4-yl]-2,2-dimethylpropyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(CC(C)(C)Cc2ccnc(CC(C)(C)C)n2)no1
InChIInChI=1S/C17H26N4O/c1-12-19-15(21-22-12)11-17(5,6)9-13-7-8-18-14(20-13)10-16(2,3)4/h7-8H,9-11H2,1-6H3
InChIKeyFERQWOIIDUFAQY-UHFFFAOYSA-N
MW302.42 g/mol
LogP3.57
Rot. Bonds5

About 3-[3-[2-(2,2-dimethylpropyl)pyrimidin-4-yl]-2,2-dimethylpropyl]-5-methyl-1,2,4-oxadiazole

3-[3-[2-(2,2-dimethylpropyl)pyrimidin-4-yl]-2,2-dimethylpropyl]-5-methyl-1,2,4-oxadiazole (PubChem CID 167264079) has the molecular formula C17H26N4O and a molecular weight of 302.42 g/mol. Its IUPAC name is 3-[3-[2-(2,2-dimethylpropyl)pyrimidin-4-yl]-2,2-dimethylpropyl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[3-[2-(2,2-dimethylpropyl)pyrimidin-4-yl]-2,2-dimethylpropyl]-5-methyl-1,2,4-oxadiazole
PubChem CID167264079
Molecular FormulaC17H26N4O
Molecular Weight302.42 g/mol
Exact Mass302.21
IUPAC Name3-[3-[2-(2,2-dimethylpropyl)pyrimidin-4-yl]-2,2-dimethylpropyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(CC(C)(C)Cc2ccnc(CC(C)(C)C)n2)no1
InChIInChI=1S/C17H26N4O/c1-12-19-15(21-22-12)11-17(5,6)9-13-7-8-18-14(20-13)10-16(2,3)4/h7-8H,9-11H2,1-6H3
InChIKeyFERQWOIIDUFAQY-UHFFFAOYSA-N
XLogP3.57
TPSA64.70 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.42
LogP ≤ 53.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[3-[2-(2,2-dimethylpropyl)pyrimidin-4-yl]-2,2-dimethylpropyl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[3-[2-(2,2-dimethylpropyl)pyrimidin-4-yl]-2,2-dimethylpropyl]-5-methyl-1,2,4-oxadiazole (CID 167264079) is 3-[3-[2-(2,2-dimethylpropyl)pyrimidin-4-yl]-2,2-dimethylpropyl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[3-[2-(2,2-dimethylpropyl)pyrimidin-4-yl]-2,2-dimethylpropyl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[3-[2-(2,2-dimethylpropyl)pyrimidin-4-yl]-2,2-dimethylpropyl]-5-methyl-1,2,4-oxadiazole is Cc1nc(CC(C)(C)Cc2ccnc(CC(C)(C)C)n2)no1.
What is the InChIKey of 3-[3-[2-(2,2-dimethylpropyl)pyrimidin-4-yl]-2,2-dimethylpropyl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is FERQWOIIDUFAQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O/c1-12-19-15(21-22-12)11-17(5,6)9-13-7-8-18-14(20-13)10-16(2,3)4/h7-8H,9-11H2,1-6H3.
What are the key properties of 3-[3-[2-(2,2-dimethylpropyl)pyrimidin-4-yl]-2,2-dimethylpropyl]-5-methyl-1,2,4-oxadiazole?
3-[3-[2-(2,2-dimethylpropyl)pyrimidin-4-yl]-2,2-dimethylpropyl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 302.42 g/mol, XLogP of 3.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[2-(2,2-dimethylpropyl)pyrimidin-4-yl]-2,2-dimethylpropyl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 167264079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).