5-cyclopentyl-3-(4,4-dimethylpentyl)-1,2,4-oxadiazole

C14H24N2O — CID 59405197

IUPAC5-cyclopentyl-3-(4,4-dimethylpentyl)-1,2,4-oxadiazole
SMILESCC(C)(C)CCCc1noc(C2CCCC2)n1
InChIInChI=1S/C14H24N2O/c1-14(2,3)10-6-9-12-15-13(17-16-12)11-7-4-5-8-11/h11H,4-10H2,1-3H3
InChIKeyAIACNVUCQYJNKL-UHFFFAOYSA-N
MW236.36 g/mol
LogP4.10
Rot. Bonds4

About 5-cyclopentyl-3-(4,4-dimethylpentyl)-1,2,4-oxadiazole

5-cyclopentyl-3-(4,4-dimethylpentyl)-1,2,4-oxadiazole (PubChem CID 59405197) has the molecular formula C14H24N2O and a molecular weight of 236.36 g/mol. Its IUPAC name is 5-cyclopentyl-3-(4,4-dimethylpentyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopentyl-3-(4,4-dimethylpentyl)-1,2,4-oxadiazole
PubChem CID59405197
Molecular FormulaC14H24N2O
Molecular Weight236.36 g/mol
Exact Mass236.19
IUPAC Name5-cyclopentyl-3-(4,4-dimethylpentyl)-1,2,4-oxadiazole
SMILESCC(C)(C)CCCc1noc(C2CCCC2)n1
InChIInChI=1S/C14H24N2O/c1-14(2,3)10-6-9-12-15-13(17-16-12)11-7-4-5-8-11/h11H,4-10H2,1-3H3
InChIKeyAIACNVUCQYJNKL-UHFFFAOYSA-N
XLogP4.10
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.36
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-3-(4,4-dimethylpentyl)-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopentyl-3-(4,4-dimethylpentyl)-1,2,4-oxadiazole (CID 59405197) is 5-cyclopentyl-3-(4,4-dimethylpentyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopentyl-3-(4,4-dimethylpentyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopentyl-3-(4,4-dimethylpentyl)-1,2,4-oxadiazole is CC(C)(C)CCCc1noc(C2CCCC2)n1.
What is the InChIKey of 5-cyclopentyl-3-(4,4-dimethylpentyl)-1,2,4-oxadiazole?
The InChIKey is AIACNVUCQYJNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N2O/c1-14(2,3)10-6-9-12-15-13(17-16-12)11-7-4-5-8-11/h11H,4-10H2,1-3H3.
What are the key properties of 5-cyclopentyl-3-(4,4-dimethylpentyl)-1,2,4-oxadiazole?
5-cyclopentyl-3-(4,4-dimethylpentyl)-1,2,4-oxadiazole has a molecular weight of 236.36 g/mol, XLogP of 4.10, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-3-(4,4-dimethylpentyl)-1,2,4-oxadiazole is sourced from PubChem (CID 59405197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).