5-cyclopentyl-3-methyl-1,2,4-oxadiazole

C8H12N2O — CID 59007020

IUPAC5-cyclopentyl-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CCCC2)n1
InChIInChI=1S/C8H12N2O/c1-6-9-8(11-10-6)7-4-2-3-5-7/h7H,2-5H2,1H3
InChIKeyQJTXKKSYFRFTDA-UHFFFAOYSA-N
MW152.20 g/mol
LogP2.04
Rot. Bonds1

About 5-cyclopentyl-3-methyl-1,2,4-oxadiazole

5-cyclopentyl-3-methyl-1,2,4-oxadiazole (PubChem CID 59007020) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 5-cyclopentyl-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopentyl-3-methyl-1,2,4-oxadiazole
PubChem CID59007020
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name5-cyclopentyl-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CCCC2)n1
InChIInChI=1S/C8H12N2O/c1-6-9-8(11-10-6)7-4-2-3-5-7/h7H,2-5H2,1H3
InChIKeyQJTXKKSYFRFTDA-UHFFFAOYSA-N
XLogP2.04
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopentyl-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopentyl-3-methyl-1,2,4-oxadiazole (CID 59007020) is 5-cyclopentyl-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopentyl-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopentyl-3-methyl-1,2,4-oxadiazole is Cc1noc(C2CCCC2)n1.
What is the InChIKey of 5-cyclopentyl-3-methyl-1,2,4-oxadiazole?
The InChIKey is QJTXKKSYFRFTDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6-9-8(11-10-6)7-4-2-3-5-7/h7H,2-5H2,1H3.
What are the key properties of 5-cyclopentyl-3-methyl-1,2,4-oxadiazole?
5-cyclopentyl-3-methyl-1,2,4-oxadiazole has a molecular weight of 152.20 g/mol, XLogP of 2.04, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopentyl-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 59007020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).