3-cyclohexyl-5-[4-(4-fluorophenyl)oxan-4-yl]-1,2,4-oxadiazole

C19H23FN2O2 — CID 56804177

IUPAC3-cyclohexyl-5-[4-(4-fluorophenyl)oxan-4-yl]-1,2,4-oxadiazole
SMILESFc1ccc(C2(c3nc(C4CCCCC4)no3)CCOCC2)cc1
InChIInChI=1S/C19H23FN2O2/c20-16-8-6-15(7-9-16)19(10-12-23-13-11-19)18-21-17(22-24-18)14-4-2-1-3-5-14/h6-9,14H,1-5,10-13H2
InChIKeyJVPBOSFBLPYCNC-UHFFFAOYSA-N
MW330.40 g/mol
LogP4.35
Rot. Bonds3

About 3-cyclohexyl-5-[4-(4-fluorophenyl)oxan-4-yl]-1,2,4-oxadiazole

3-cyclohexyl-5-[4-(4-fluorophenyl)oxan-4-yl]-1,2,4-oxadiazole (PubChem CID 56804177) has the molecular formula C19H23FN2O2 and a molecular weight of 330.40 g/mol. Its IUPAC name is 3-cyclohexyl-5-[4-(4-fluorophenyl)oxan-4-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclohexyl-5-[4-(4-fluorophenyl)oxan-4-yl]-1,2,4-oxadiazole
PubChem CID56804177
Molecular FormulaC19H23FN2O2
Molecular Weight330.40 g/mol
Exact Mass330.17
IUPAC Name3-cyclohexyl-5-[4-(4-fluorophenyl)oxan-4-yl]-1,2,4-oxadiazole
SMILESFc1ccc(C2(c3nc(C4CCCCC4)no3)CCOCC2)cc1
InChIInChI=1S/C19H23FN2O2/c20-16-8-6-15(7-9-16)19(10-12-23-13-11-19)18-21-17(22-24-18)14-4-2-1-3-5-14/h6-9,14H,1-5,10-13H2
InChIKeyJVPBOSFBLPYCNC-UHFFFAOYSA-N
XLogP4.35
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.40
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-[4-(4-fluorophenyl)oxan-4-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclohexyl-5-[4-(4-fluorophenyl)oxan-4-yl]-1,2,4-oxadiazole (CID 56804177) is 3-cyclohexyl-5-[4-(4-fluorophenyl)oxan-4-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclohexyl-5-[4-(4-fluorophenyl)oxan-4-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclohexyl-5-[4-(4-fluorophenyl)oxan-4-yl]-1,2,4-oxadiazole is Fc1ccc(C2(c3nc(C4CCCCC4)no3)CCOCC2)cc1.
What is the InChIKey of 3-cyclohexyl-5-[4-(4-fluorophenyl)oxan-4-yl]-1,2,4-oxadiazole?
The InChIKey is JVPBOSFBLPYCNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN2O2/c20-16-8-6-15(7-9-16)19(10-12-23-13-11-19)18-21-17(22-24-18)14-4-2-1-3-5-14/h6-9,14H,1-5,10-13H2.
What are the key properties of 3-cyclohexyl-5-[4-(4-fluorophenyl)oxan-4-yl]-1,2,4-oxadiazole?
3-cyclohexyl-5-[4-(4-fluorophenyl)oxan-4-yl]-1,2,4-oxadiazole has a molecular weight of 330.40 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-[4-(4-fluorophenyl)oxan-4-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 56804177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).