5-(2,2-dimethyl-3-propan-2-ylcyclopentyl)-3-methyl-1,2,4-oxadiazole

C13H22N2O — CID 91296999

IUPAC5-(2,2-dimethyl-3-propan-2-ylcyclopentyl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CCC(C(C)C)C2(C)C)n1
InChIInChI=1S/C13H22N2O/c1-8(2)10-6-7-11(13(10,4)5)12-14-9(3)15-16-12/h8,10-11H,6-7H2,1-5H3
InChIKeyZJAAZFLFRMFVJC-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.55
Rot. Bonds2

About 5-(2,2-dimethyl-3-propan-2-ylcyclopentyl)-3-methyl-1,2,4-oxadiazole

5-(2,2-dimethyl-3-propan-2-ylcyclopentyl)-3-methyl-1,2,4-oxadiazole (PubChem CID 91296999) has the molecular formula C13H22N2O and a molecular weight of 222.33 g/mol. Its IUPAC name is 5-(2,2-dimethyl-3-propan-2-ylcyclopentyl)-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,2-dimethyl-3-propan-2-ylcyclopentyl)-3-methyl-1,2,4-oxadiazole
PubChem CID91296999
Molecular FormulaC13H22N2O
Molecular Weight222.33 g/mol
Exact Mass222.17
IUPAC Name5-(2,2-dimethyl-3-propan-2-ylcyclopentyl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CCC(C(C)C)C2(C)C)n1
InChIInChI=1S/C13H22N2O/c1-8(2)10-6-7-11(13(10,4)5)12-14-9(3)15-16-12/h8,10-11H,6-7H2,1-5H3
InChIKeyZJAAZFLFRMFVJC-UHFFFAOYSA-N
XLogP3.55
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-dimethyl-3-propan-2-ylcyclopentyl)-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-(2,2-dimethyl-3-propan-2-ylcyclopentyl)-3-methyl-1,2,4-oxadiazole (CID 91296999) is 5-(2,2-dimethyl-3-propan-2-ylcyclopentyl)-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,2-dimethyl-3-propan-2-ylcyclopentyl)-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,2-dimethyl-3-propan-2-ylcyclopentyl)-3-methyl-1,2,4-oxadiazole is Cc1noc(C2CCC(C(C)C)C2(C)C)n1.
What is the InChIKey of 5-(2,2-dimethyl-3-propan-2-ylcyclopentyl)-3-methyl-1,2,4-oxadiazole?
The InChIKey is ZJAAZFLFRMFVJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O/c1-8(2)10-6-7-11(13(10,4)5)12-14-9(3)15-16-12/h8,10-11H,6-7H2,1-5H3.
What are the key properties of 5-(2,2-dimethyl-3-propan-2-ylcyclopentyl)-3-methyl-1,2,4-oxadiazole?
5-(2,2-dimethyl-3-propan-2-ylcyclopentyl)-3-methyl-1,2,4-oxadiazole has a molecular weight of 222.33 g/mol, XLogP of 3.55, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-dimethyl-3-propan-2-ylcyclopentyl)-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 91296999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).