5-(3,3-dimethylcyclopentyl)-3-methyl-1,2,4-oxadiazole

C10H16N2O — CID 127801903

IUPAC5-(3,3-dimethylcyclopentyl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CCC(C)(C)C2)n1
InChIInChI=1S/C10H16N2O/c1-7-11-9(13-12-7)8-4-5-10(2,3)6-8/h8H,4-6H2,1-3H3
InChIKeyDOMYHGLHTJFLRK-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.67
Rot. Bonds1

About 5-(3,3-dimethylcyclopentyl)-3-methyl-1,2,4-oxadiazole

5-(3,3-dimethylcyclopentyl)-3-methyl-1,2,4-oxadiazole (PubChem CID 127801903) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 5-(3,3-dimethylcyclopentyl)-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3,3-dimethylcyclopentyl)-3-methyl-1,2,4-oxadiazole
PubChem CID127801903
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name5-(3,3-dimethylcyclopentyl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CCC(C)(C)C2)n1
InChIInChI=1S/C10H16N2O/c1-7-11-9(13-12-7)8-4-5-10(2,3)6-8/h8H,4-6H2,1-3H3
InChIKeyDOMYHGLHTJFLRK-UHFFFAOYSA-N
XLogP2.67
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(3,3-dimethylcyclopentyl)-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-(3,3-dimethylcyclopentyl)-3-methyl-1,2,4-oxadiazole (CID 127801903) is 5-(3,3-dimethylcyclopentyl)-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3,3-dimethylcyclopentyl)-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(3,3-dimethylcyclopentyl)-3-methyl-1,2,4-oxadiazole is Cc1noc(C2CCC(C)(C)C2)n1.
What is the InChIKey of 5-(3,3-dimethylcyclopentyl)-3-methyl-1,2,4-oxadiazole?
The InChIKey is DOMYHGLHTJFLRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7-11-9(13-12-7)8-4-5-10(2,3)6-8/h8H,4-6H2,1-3H3.
What are the key properties of 5-(3,3-dimethylcyclopentyl)-3-methyl-1,2,4-oxadiazole?
5-(3,3-dimethylcyclopentyl)-3-methyl-1,2,4-oxadiazole has a molecular weight of 180.25 g/mol, XLogP of 2.67, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,3-dimethylcyclopentyl)-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 127801903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).