2-(3-propyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-one

C10H14N2O2 — CID 63344281

IUPAC2-(3-propyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-one
SMILESCCCc1noc(C2CCCC2=O)n1
InChIInChI=1S/C10H14N2O2/c1-2-4-9-11-10(14-12-9)7-5-3-6-8(7)13/h7H,2-6H2,1H3
InChIKeyNDIMYKKERPNHRG-UHFFFAOYSA-N
MW194.23 g/mol
LogP1.86
Rot. Bonds3

About 2-(3-propyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-one

2-(3-propyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-one (PubChem CID 63344281) has the molecular formula C10H14N2O2 and a molecular weight of 194.23 g/mol. Its IUPAC name is 2-(3-propyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-one.

Molecular Properties

Compound Name2-(3-propyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-one
PubChem CID63344281
Molecular FormulaC10H14N2O2
Molecular Weight194.23 g/mol
Exact Mass194.11
IUPAC Name2-(3-propyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-one
SMILESCCCc1noc(C2CCCC2=O)n1
InChIInChI=1S/C10H14N2O2/c1-2-4-9-11-10(14-12-9)7-5-3-6-8(7)13/h7H,2-6H2,1H3
InChIKeyNDIMYKKERPNHRG-UHFFFAOYSA-N
XLogP1.86
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.23
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-Cyclopentyl-3-ethyl-1,2,4-oxadiazole
CID 127300589
3-(3-Methyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-one
CID 137951579
4-Methyl-3-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 55200860
1,1,1-Trifluoro-3-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 55201051
3-(3-Cyclopentyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluoropropan-2-one
CID 55202188
3-(3-Cyclopentyl-1,2,4-oxadiazol-5-yl)-1,1,1-trifluorobutan-2-one
CID 55230693
1,1-Difluoro-3-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 63344969
2-[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one
CID 63345101
2-[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one
CID 63345102
3-[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 63345147
1-[3-(2,2,2-Trifluoroethyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 63345148
3,3-Dimethyl-1-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 63345149

Frequently Asked Questions

What is the IUPAC name of 2-(3-propyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-one?
The IUPAC name of 2-(3-propyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-one (CID 63344281) is 2-(3-propyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-one.
What is the SMILES notation for 2-(3-propyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-one?
The canonical SMILES for 2-(3-propyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-one is CCCc1noc(C2CCCC2=O)n1.
What is the InChIKey of 2-(3-propyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-one?
The InChIKey is NDIMYKKERPNHRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N2O2/c1-2-4-9-11-10(14-12-9)7-5-3-6-8(7)13/h7H,2-6H2,1H3.
What are the key properties of 2-(3-propyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-one?
2-(3-propyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-one has a molecular weight of 194.23 g/mol, XLogP of 1.86, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-propyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-one is sourced from PubChem (CID 63344281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).