2-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one

C13H13N3O2 — CID 55201048

IUPAC2-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one
SMILESO=C1CCCC1c1nc(Cc2cccnc2)no1
InChIInChI=1S/C13H13N3O2/c17-11-5-1-4-10(11)13-15-12(16-18-13)7-9-3-2-6-14-8-9/h2-3,6,8,10H,1,4-5,7H2
InChIKeyXDIANLUSDLHUHC-UHFFFAOYSA-N
MW243.27 g/mol
LogP1.89
Rot. Bonds3

About 2-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one

2-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one (PubChem CID 55201048) has the molecular formula C13H13N3O2 and a molecular weight of 243.27 g/mol. Its IUPAC name is 2-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one
PubChem CID55201048
Molecular FormulaC13H13N3O2
Molecular Weight243.27 g/mol
Exact Mass243.10
IUPAC Name2-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one
SMILESO=C1CCCC1c1nc(Cc2cccnc2)no1
InChIInChI=1S/C13H13N3O2/c17-11-5-1-4-10(11)13-15-12(16-18-13)7-9-3-2-6-14-8-9/h2-3,6,8,10H,1,4-5,7H2
InChIKeyXDIANLUSDLHUHC-UHFFFAOYSA-N
XLogP1.89
TPSA68.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.27
LogP ≤ 51.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one
CID 63344730
2-[3-[(4-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-one
CID 63346762
2-[3-(thiophen-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one
CID 55200857
5-[(2S)-oxolan-2-yl]-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole
CID 97251152
3-(pyridin-3-ylmethyl)-5-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 55087040
2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-one
CID 55203356
2-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylic acid
CID 62550871
5-(2-methylpyrrolidin-3-yl)-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole
CID 79372126
2-(3-propyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-one
CID 63344281
2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cycloheptan-1-one
CID 63345144
2-[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one
CID 63345102
2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-one
CID 63949890

Frequently Asked Questions

What is the IUPAC name of 2-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one?
The IUPAC name of 2-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one (CID 55201048) is 2-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one?
The canonical SMILES for 2-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one is O=C1CCCC1c1nc(Cc2cccnc2)no1.
What is the InChIKey of 2-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one?
The InChIKey is XDIANLUSDLHUHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N3O2/c17-11-5-1-4-10(11)13-15-12(16-18-13)7-9-3-2-6-14-8-9/h2-3,6,8,10H,1,4-5,7H2.
What are the key properties of 2-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one?
2-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one has a molecular weight of 243.27 g/mol, XLogP of 1.89, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(pyridin-3-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one is sourced from PubChem (CID 55201048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).