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

C15H26N2O — CID 59405146

IUPAC5-(cyclopentylmethyl)-3-(4,4-dimethylpentyl)-1,2,4-oxadiazole
SMILESCC(C)(C)CCCc1noc(CC2CCCC2)n1
InChIInChI=1S/C15H26N2O/c1-15(2,3)10-6-9-13-16-14(18-17-13)11-12-7-4-5-8-12/h12H,4-11H2,1-3H3
InChIKeyJAXLLYZHDXRMQD-UHFFFAOYSA-N
MW250.39 g/mol
LogP4.17
Rot. Bonds5

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

5-(cyclopentylmethyl)-3-(4,4-dimethylpentyl)-1,2,4-oxadiazole (PubChem CID 59405146) has the molecular formula C15H26N2O and a molecular weight of 250.39 g/mol. Its IUPAC name is 5-(cyclopentylmethyl)-3-(4,4-dimethylpentyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(cyclopentylmethyl)-3-(4,4-dimethylpentyl)-1,2,4-oxadiazole
PubChem CID59405146
Molecular FormulaC15H26N2O
Molecular Weight250.39 g/mol
Exact Mass250.20
IUPAC Name5-(cyclopentylmethyl)-3-(4,4-dimethylpentyl)-1,2,4-oxadiazole
SMILESCC(C)(C)CCCc1noc(CC2CCCC2)n1
InChIInChI=1S/C15H26N2O/c1-15(2,3)10-6-9-13-16-14(18-17-13)11-12-7-4-5-8-12/h12H,4-11H2,1-3H3
InChIKeyJAXLLYZHDXRMQD-UHFFFAOYSA-N
XLogP4.17
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.39
LogP ≤ 54.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

5-Cyclopentyl-3-ethyl-1,2,4-oxadiazole
CID 127300589
5-Cycloheptyl-3-(2-methoxyethyl)-1,2,4-oxadiazole
CID 72014868
3-[[5-(1-Ethylcyclopentyl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole
CID 136514074
3-(3,3-Difluoro-1-methylcyclopentyl)-5-propan-2-yl-1,2,4-oxadiazole
CID 89973858
5-(4,4-Difluorocyclohexyl)-3-methyl-1,2,4-oxadiazole
CID 147268369
3-(Difluoromethyl)-5-nonan-5-yl-1,2,4-oxadiazole
CID 169625056
3-(Trifluoromethyl)-5-undecan-5-yl-1,2,4-oxadiazole
CID 169625060
3-(Difluoromethyl)-5-dodecan-6-yl-1,2,4-oxadiazole
CID 169625112
5-Nonan-5-yl-3-(trifluoromethyl)-1,2,4-oxadiazole
CID 169625203
5-Nonan-3-yl-3-(trifluoromethyl)-1,2,4-oxadiazole
CID 169625204
5-Tridecan-7-yl-3-(trifluoromethyl)-1,2,4-oxadiazole
CID 169625271
3-(Difluoromethyl)-5-undecan-5-yl-1,2,4-oxadiazole
CID 169625295

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylmethyl)-3-(4,4-dimethylpentyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(cyclopentylmethyl)-3-(4,4-dimethylpentyl)-1,2,4-oxadiazole (CID 59405146) is 5-(cyclopentylmethyl)-3-(4,4-dimethylpentyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(cyclopentylmethyl)-3-(4,4-dimethylpentyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(cyclopentylmethyl)-3-(4,4-dimethylpentyl)-1,2,4-oxadiazole is CC(C)(C)CCCc1noc(CC2CCCC2)n1.
What is the InChIKey of 5-(cyclopentylmethyl)-3-(4,4-dimethylpentyl)-1,2,4-oxadiazole?
The InChIKey is JAXLLYZHDXRMQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N2O/c1-15(2,3)10-6-9-13-16-14(18-17-13)11-12-7-4-5-8-12/h12H,4-11H2,1-3H3.
What are the key properties of 5-(cyclopentylmethyl)-3-(4,4-dimethylpentyl)-1,2,4-oxadiazole?
5-(cyclopentylmethyl)-3-(4,4-dimethylpentyl)-1,2,4-oxadiazole has a molecular weight of 250.39 g/mol, XLogP of 4.17, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylmethyl)-3-(4,4-dimethylpentyl)-1,2,4-oxadiazole is sourced from PubChem (CID 59405146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).