2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one

C13H14N2O3 — CID 63344285

IUPAC2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one
SMILESO=C1CCCCCC1c1nc(-c2ccco2)no1
InChIInChI=1S/C13H14N2O3/c16-10-6-3-1-2-5-9(10)13-14-12(15-18-13)11-7-4-8-17-11/h4,7-9H,1-3,5-6H2
InChIKeyUIZYGGBSWROFPT-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.95
Rot. Bonds2

About 2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one

2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one (PubChem CID 63344285) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is 2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one.

Molecular Properties

Compound Name2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one
PubChem CID63344285
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one
SMILESO=C1CCCCCC1c1nc(-c2ccco2)no1
InChIInChI=1S/C13H14N2O3/c16-10-6-3-1-2-5-9(10)13-14-12(15-18-13)11-7-4-8-17-11/h4,7-9H,1-3,5-6H2
InChIKeyUIZYGGBSWROFPT-UHFFFAOYSA-N
XLogP2.95
TPSA69.13 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one
CID 104790947
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one
CID 63344549
2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one
CID 63346364
2-[3-(3-nitrophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 63344671
2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-one
CID 63949890
2-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one
CID 106849924
2-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one
CID 63344321
2-[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cycloheptan-1-one
CID 63345144
2-[3-(pyridin-4-ylmethyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one
CID 63344730
5-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidine-1-carbonyl]pyrrolidin-2-one
CID 90508872
3-(furan-2-yl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole;hydrochloride
CID 68927912
2-[3-(4-bromo-3,5-dimethylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one
CID 114331171

Frequently Asked Questions

What is the IUPAC name of 2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one?
The IUPAC name of 2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one (CID 63344285) is 2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one.
What is the SMILES notation for 2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one?
The canonical SMILES for 2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one is O=C1CCCCCC1c1nc(-c2ccco2)no1.
What is the InChIKey of 2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one?
The InChIKey is UIZYGGBSWROFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c16-10-6-3-1-2-5-9(10)13-14-12(15-18-13)11-7-4-8-17-11/h4,7-9H,1-3,5-6H2.
What are the key properties of 2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one?
2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one has a molecular weight of 246.27 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one is sourced from PubChem (CID 63344285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).