2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-one

C15H15FN2O2 — CID 63346633

IUPAC2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
SMILESO=C1CCCCC1c1nc(Cc2ccc(F)cc2)no1
InChIInChI=1S/C15H15FN2O2/c16-11-7-5-10(6-8-11)9-14-17-15(20-18-14)12-3-1-2-4-13(12)19/h5-8,12H,1-4,9H2
InChIKeyXCGFZAFBPOJHAX-UHFFFAOYSA-N
MW274.29 g/mol
LogP3.03
Rot. Bonds3

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

2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-one (PubChem CID 63346633) has the molecular formula C15H15FN2O2 and a molecular weight of 274.29 g/mol. Its IUPAC name is 2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
PubChem CID63346633
Molecular FormulaC15H15FN2O2
Molecular Weight274.29 g/mol
Exact Mass274.11
IUPAC Name2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
SMILESO=C1CCCCC1c1nc(Cc2ccc(F)cc2)no1
InChIInChI=1S/C15H15FN2O2/c16-11-7-5-10(6-8-11)9-14-17-15(20-18-14)12-3-1-2-4-13(12)19/h5-8,12H,1-4,9H2
InChIKeyXCGFZAFBPOJHAX-UHFFFAOYSA-N
XLogP3.03
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-one?
The IUPAC name of 2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-one (CID 63346633) is 2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-one?
The canonical SMILES for 2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-one is O=C1CCCCC1c1nc(Cc2ccc(F)cc2)no1.
What is the InChIKey of 2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-one?
The InChIKey is XCGFZAFBPOJHAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15FN2O2/c16-11-7-5-10(6-8-11)9-14-17-15(20-18-14)12-3-1-2-4-13(12)19/h5-8,12H,1-4,9H2.
What are the key properties of 2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-one?
2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-one has a molecular weight of 274.29 g/mol, XLogP of 3.03, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-one is sourced from PubChem (CID 63346633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).