4-(cyclohexylmethyl)-3-[(4,4-difluorocyclohexyl)methyl]-1,2,4-oxadiazol-5-one

C16H24F2N2O2 — CID 135368851

IUPAC4-(cyclohexylmethyl)-3-[(4,4-difluorocyclohexyl)methyl]-1,2,4-oxadiazol-5-one
SMILESO=c1onc(CC2CCC(F)(F)CC2)n1CC1CCCCC1
InChIInChI=1S/C16H24F2N2O2/c17-16(18)8-6-12(7-9-16)10-14-19-22-15(21)20(14)11-13-4-2-1-3-5-13/h12-13H,1-11H2
InChIKeyIYGJIZLHWGXMIZ-UHFFFAOYSA-N
MW314.38 g/mol
LogP3.78
Rot. Bonds4

About 4-(cyclohexylmethyl)-3-[(4,4-difluorocyclohexyl)methyl]-1,2,4-oxadiazol-5-one

4-(cyclohexylmethyl)-3-[(4,4-difluorocyclohexyl)methyl]-1,2,4-oxadiazol-5-one (PubChem CID 135368851) has the molecular formula C16H24F2N2O2 and a molecular weight of 314.38 g/mol. Its IUPAC name is 4-(cyclohexylmethyl)-3-[(4,4-difluorocyclohexyl)methyl]-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name4-(cyclohexylmethyl)-3-[(4,4-difluorocyclohexyl)methyl]-1,2,4-oxadiazol-5-one
PubChem CID135368851
Molecular FormulaC16H24F2N2O2
Molecular Weight314.38 g/mol
Exact Mass314.18
IUPAC Name4-(cyclohexylmethyl)-3-[(4,4-difluorocyclohexyl)methyl]-1,2,4-oxadiazol-5-one
SMILESO=c1onc(CC2CCC(F)(F)CC2)n1CC1CCCCC1
InChIInChI=1S/C16H24F2N2O2/c17-16(18)8-6-12(7-9-16)10-14-19-22-15(21)20(14)11-13-4-2-1-3-5-13/h12-13H,1-11H2
InChIKeyIYGJIZLHWGXMIZ-UHFFFAOYSA-N
XLogP3.78
TPSA48.03 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.38
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(cyclohexylmethyl)-3-[(4,4-difluorocyclohexyl)methyl]-1,2,4-oxadiazol-5-one?
The IUPAC name of 4-(cyclohexylmethyl)-3-[(4,4-difluorocyclohexyl)methyl]-1,2,4-oxadiazol-5-one (CID 135368851) is 4-(cyclohexylmethyl)-3-[(4,4-difluorocyclohexyl)methyl]-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 4-(cyclohexylmethyl)-3-[(4,4-difluorocyclohexyl)methyl]-1,2,4-oxadiazol-5-one?
The canonical SMILES for 4-(cyclohexylmethyl)-3-[(4,4-difluorocyclohexyl)methyl]-1,2,4-oxadiazol-5-one is O=c1onc(CC2CCC(F)(F)CC2)n1CC1CCCCC1.
What is the InChIKey of 4-(cyclohexylmethyl)-3-[(4,4-difluorocyclohexyl)methyl]-1,2,4-oxadiazol-5-one?
The InChIKey is IYGJIZLHWGXMIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24F2N2O2/c17-16(18)8-6-12(7-9-16)10-14-19-22-15(21)20(14)11-13-4-2-1-3-5-13/h12-13H,1-11H2.
What are the key properties of 4-(cyclohexylmethyl)-3-[(4,4-difluorocyclohexyl)methyl]-1,2,4-oxadiazol-5-one?
4-(cyclohexylmethyl)-3-[(4,4-difluorocyclohexyl)methyl]-1,2,4-oxadiazol-5-one has a molecular weight of 314.38 g/mol, XLogP of 3.78, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(cyclohexylmethyl)-3-[(4,4-difluorocyclohexyl)methyl]-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 135368851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).