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

C14H13ClN2O2 — CID 55203356

IUPAC2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-one
SMILESO=C1CCCC1c1nc(Cc2ccccc2Cl)no1
InChIInChI=1S/C14H13ClN2O2/c15-11-6-2-1-4-9(11)8-13-16-14(19-17-13)10-5-3-7-12(10)18/h1-2,4,6,10H,3,5,7-8H2
InChIKeyCDWJGTAAJYPORW-UHFFFAOYSA-N
MW276.72 g/mol
LogP3.15
Rot. Bonds3

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

2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-one (PubChem CID 55203356) has the molecular formula C14H13ClN2O2 and a molecular weight of 276.72 g/mol. Its IUPAC name is 2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-one.

Molecular Properties

Compound Name2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-one
PubChem CID55203356
Molecular FormulaC14H13ClN2O2
Molecular Weight276.72 g/mol
Exact Mass276.07
IUPAC Name2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-one
SMILESO=C1CCCC1c1nc(Cc2ccccc2Cl)no1
InChIInChI=1S/C14H13ClN2O2/c15-11-6-2-1-4-9(11)8-13-16-14(19-17-13)10-5-3-7-12(10)18/h1-2,4,6,10H,3,5,7-8H2
InChIKeyCDWJGTAAJYPORW-UHFFFAOYSA-N
XLogP3.15
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.72
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-one?
The IUPAC name of 2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-one (CID 55203356) is 2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-one.
What is the SMILES notation for 2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-one?
The canonical SMILES for 2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-one is O=C1CCCC1c1nc(Cc2ccccc2Cl)no1.
What is the InChIKey of 2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-one?
The InChIKey is CDWJGTAAJYPORW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2/c15-11-6-2-1-4-9(11)8-13-16-14(19-17-13)10-5-3-7-12(10)18/h1-2,4,6,10H,3,5,7-8H2.
What are the key properties of 2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-one?
2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-one has a molecular weight of 276.72 g/mol, XLogP of 3.15, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(2-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclopentan-1-one is sourced from PubChem (CID 55203356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).