3-[[5-(1-ethylcyclopentyl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole

C13H18N4O2 — CID 136514074

IUPAC3-[[5-(1-ethylcyclopentyl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole
SMILESCCC1(c2nc(Cc3noc(C)n3)no2)CCCC1
InChIInChI=1S/C13H18N4O2/c1-3-13(6-4-5-7-13)12-15-11(17-19-12)8-10-14-9(2)18-16-10/h3-8H2,1-2H3
InChIKeyORPXZEYGXZLKNN-UHFFFAOYSA-N
MW262.31 g/mol
LogP2.57
Rot. Bonds4

About 3-[[5-(1-ethylcyclopentyl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole

3-[[5-(1-ethylcyclopentyl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole (PubChem CID 136514074) has the molecular formula C13H18N4O2 and a molecular weight of 262.31 g/mol. Its IUPAC name is 3-[[5-(1-ethylcyclopentyl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[5-(1-ethylcyclopentyl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole
PubChem CID136514074
Molecular FormulaC13H18N4O2
Molecular Weight262.31 g/mol
Exact Mass262.14
IUPAC Name3-[[5-(1-ethylcyclopentyl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole
SMILESCCC1(c2nc(Cc3noc(C)n3)no2)CCCC1
InChIInChI=1S/C13H18N4O2/c1-3-13(6-4-5-7-13)12-15-11(17-19-12)8-10-14-9(2)18-16-10/h3-8H2,1-2H3
InChIKeyORPXZEYGXZLKNN-UHFFFAOYSA-N
XLogP2.57
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[[5-(1-ethylcyclopentyl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[[5-(1-ethylcyclopentyl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole (CID 136514074) is 3-[[5-(1-ethylcyclopentyl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[5-(1-ethylcyclopentyl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[[5-(1-ethylcyclopentyl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole is CCC1(c2nc(Cc3noc(C)n3)no2)CCCC1.
What is the InChIKey of 3-[[5-(1-ethylcyclopentyl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is ORPXZEYGXZLKNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O2/c1-3-13(6-4-5-7-13)12-15-11(17-19-12)8-10-14-9(2)18-16-10/h3-8H2,1-2H3.
What are the key properties of 3-[[5-(1-ethylcyclopentyl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole?
3-[[5-(1-ethylcyclopentyl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 262.31 g/mol, XLogP of 2.57, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(1-ethylcyclopentyl)-1,2,4-oxadiazol-3-yl]methyl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 136514074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).