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

C15H15ClN2O2 — CID 63344549

IUPAC2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one
SMILESO=C1CCCCCC1c1nc(-c2ccccc2Cl)no1
InChIInChI=1S/C15H15ClN2O2/c16-12-8-5-4-6-10(12)14-17-15(20-18-14)11-7-2-1-3-9-13(11)19/h4-6,8,11H,1-3,7,9H2
InChIKeyXFJHMONJSCEVAF-UHFFFAOYSA-N
MW290.75 g/mol
LogP4.01
Rot. Bonds2

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

2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one (PubChem CID 63344549) has the molecular formula C15H15ClN2O2 and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one.

Molecular Properties

Compound Name2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one
PubChem CID63344549
Molecular FormulaC15H15ClN2O2
Molecular Weight290.75 g/mol
Exact Mass290.08
IUPAC Name2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one
SMILESO=C1CCCCCC1c1nc(-c2ccccc2Cl)no1
InChIInChI=1S/C15H15ClN2O2/c16-12-8-5-4-6-10(12)14-17-15(20-18-14)11-7-2-1-3-9-13(11)19/h4-6,8,11H,1-3,7,9H2
InChIKeyXFJHMONJSCEVAF-UHFFFAOYSA-N
XLogP4.01
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one
CID 63344285
2-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one
CID 104790947
2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one
CID 63344313
2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one
CID 63346364
2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-one
CID 55203356
4-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 63346190
2-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-one
CID 63344321
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-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cycloheptan-1-one
CID 63345144
[2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-1-yl]-phenylmethanone
CID 91888614
3-(2-chlorophenyl)-5-[1-(2-chlorophenyl)sulfonylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 3758767

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one?
The IUPAC name of 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one (CID 63344549) is 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one.
What is the SMILES notation for 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one?
The canonical SMILES for 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one is O=C1CCCCCC1c1nc(-c2ccccc2Cl)no1.
What is the InChIKey of 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one?
The InChIKey is XFJHMONJSCEVAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2/c16-12-8-5-4-6-10(12)14-17-15(20-18-14)11-7-2-1-3-9-13(11)19/h4-6,8,11H,1-3,7,9H2.
What are the key properties of 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one?
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one has a molecular weight of 290.75 g/mol, XLogP of 4.01, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-one is sourced from PubChem (CID 63344549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).