4-[5-(4,4-difluorocyclohexyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylic acid

C15H20F2N2O3 — CID 165399680

IUPAC4-[5-(4,4-difluorocyclohexyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(c2nnc(C3CCC(F)(F)CC3)o2)CC1
InChIInChI=1S/C15H20F2N2O3/c16-15(17)7-5-10(6-8-15)13-19-18-12(22-13)9-1-3-11(4-2-9)14(20)21/h9-11H,1-8H2,(H,20,21)
InChIKeyYEJWZAUSBIYGSE-UHFFFAOYSA-N
MW314.33 g/mol
LogP3.72
Rot. Bonds3

About 4-[5-(4,4-difluorocyclohexyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylic acid

4-[5-(4,4-difluorocyclohexyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylic acid (PubChem CID 165399680) has the molecular formula C15H20F2N2O3 and a molecular weight of 314.33 g/mol. Its IUPAC name is 4-[5-(4,4-difluorocyclohexyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[5-(4,4-difluorocyclohexyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylic acid
PubChem CID165399680
Molecular FormulaC15H20F2N2O3
Molecular Weight314.33 g/mol
Exact Mass314.14
IUPAC Name4-[5-(4,4-difluorocyclohexyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCC(c2nnc(C3CCC(F)(F)CC3)o2)CC1
InChIInChI=1S/C15H20F2N2O3/c16-15(17)7-5-10(6-8-15)13-19-18-12(22-13)9-1-3-11(4-2-9)14(20)21/h9-11H,1-8H2,(H,20,21)
InChIKeyYEJWZAUSBIYGSE-UHFFFAOYSA-N
XLogP3.72
TPSA76.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.33
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4,4-difluorocyclohexyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[5-(4,4-difluorocyclohexyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylic acid (CID 165399680) is 4-[5-(4,4-difluorocyclohexyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[5-(4,4-difluorocyclohexyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[5-(4,4-difluorocyclohexyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylic acid is O=C(O)C1CCC(c2nnc(C3CCC(F)(F)CC3)o2)CC1.
What is the InChIKey of 4-[5-(4,4-difluorocyclohexyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylic acid?
The InChIKey is YEJWZAUSBIYGSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20F2N2O3/c16-15(17)7-5-10(6-8-15)13-19-18-12(22-13)9-1-3-11(4-2-9)14(20)21/h9-11H,1-8H2,(H,20,21).
What are the key properties of 4-[5-(4,4-difluorocyclohexyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylic acid?
4-[5-(4,4-difluorocyclohexyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylic acid has a molecular weight of 314.33 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4,4-difluorocyclohexyl)-1,3,4-oxadiazol-2-yl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 165399680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).