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

C15H14F2N2O2 — CID 63345501

IUPAC2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
SMILESO=C1CCCCC1c1nc(Cc2cc(F)cc(F)c2)no1
InChIInChI=1S/C15H14F2N2O2/c16-10-5-9(6-11(17)8-10)7-14-18-15(21-19-14)12-3-1-2-4-13(12)20/h5-6,8,12H,1-4,7H2
InChIKeyOBSNYCTZLDQJNK-UHFFFAOYSA-N
MW292.28 g/mol
LogP3.17
Rot. Bonds3

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

2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-one (PubChem CID 63345501) has the molecular formula C15H14F2N2O2 and a molecular weight of 292.28 g/mol. Its IUPAC name is 2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
PubChem CID63345501
Molecular FormulaC15H14F2N2O2
Molecular Weight292.28 g/mol
Exact Mass292.10
IUPAC Name2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
SMILESO=C1CCCCC1c1nc(Cc2cc(F)cc(F)c2)no1
InChIInChI=1S/C15H14F2N2O2/c16-10-5-9(6-11(17)8-10)7-14-18-15(21-19-14)12-3-1-2-4-13(12)20/h5-6,8,12H,1-4,7H2
InChIKeyOBSNYCTZLDQJNK-UHFFFAOYSA-N
XLogP3.17
TPSA55.99 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.28
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-one?
The IUPAC name of 2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-one (CID 63345501) is 2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-one.
What is the SMILES notation for 2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-one?
The canonical SMILES for 2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-one is O=C1CCCCC1c1nc(Cc2cc(F)cc(F)c2)no1.
What is the InChIKey of 2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-one?
The InChIKey is OBSNYCTZLDQJNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N2O2/c16-10-5-9(6-11(17)8-10)7-14-18-15(21-19-14)12-3-1-2-4-13(12)20/h5-6,8,12H,1-4,7H2.
What are the key properties of 2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-one?
2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-one has a molecular weight of 292.28 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclohexan-1-one is sourced from PubChem (CID 63345501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).