3-cyclopropyl-5-[3-[4-(trifluoromethoxy)phenyl]cyclohexyl]-1,2,4-oxadiazole

C18H19F3N2O2 — CID 70331280

IUPAC3-cyclopropyl-5-[3-[4-(trifluoromethoxy)phenyl]cyclohexyl]-1,2,4-oxadiazole
SMILESFC(F)(F)Oc1ccc(C2CCCC(c3nc(C4CC4)no3)C2)cc1
InChIInChI=1S/C18H19F3N2O2/c19-18(20,21)24-15-8-6-11(7-9-15)13-2-1-3-14(10-13)17-22-16(23-25-17)12-4-5-12/h6-9,12-14H,1-5,10H2
InChIKeyHAXQRSSLEXOJET-UHFFFAOYSA-N
MW352.36 g/mol
LogP5.29
Rot. Bonds4

About 3-cyclopropyl-5-[3-[4-(trifluoromethoxy)phenyl]cyclohexyl]-1,2,4-oxadiazole

3-cyclopropyl-5-[3-[4-(trifluoromethoxy)phenyl]cyclohexyl]-1,2,4-oxadiazole (PubChem CID 70331280) has the molecular formula C18H19F3N2O2 and a molecular weight of 352.36 g/mol. Its IUPAC name is 3-cyclopropyl-5-[3-[4-(trifluoromethoxy)phenyl]cyclohexyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[3-[4-(trifluoromethoxy)phenyl]cyclohexyl]-1,2,4-oxadiazole
PubChem CID70331280
Molecular FormulaC18H19F3N2O2
Molecular Weight352.36 g/mol
Exact Mass352.14
IUPAC Name3-cyclopropyl-5-[3-[4-(trifluoromethoxy)phenyl]cyclohexyl]-1,2,4-oxadiazole
SMILESFC(F)(F)Oc1ccc(C2CCCC(c3nc(C4CC4)no3)C2)cc1
InChIInChI=1S/C18H19F3N2O2/c19-18(20,21)24-15-8-6-11(7-9-15)13-2-1-3-14(10-13)17-22-16(23-25-17)12-4-5-12/h6-9,12-14H,1-5,10H2
InChIKeyHAXQRSSLEXOJET-UHFFFAOYSA-N
XLogP5.29
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.36
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[3-[4-(trifluoromethoxy)phenyl]cyclohexyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[3-[4-(trifluoromethoxy)phenyl]cyclohexyl]-1,2,4-oxadiazole (CID 70331280) is 3-cyclopropyl-5-[3-[4-(trifluoromethoxy)phenyl]cyclohexyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[3-[4-(trifluoromethoxy)phenyl]cyclohexyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[3-[4-(trifluoromethoxy)phenyl]cyclohexyl]-1,2,4-oxadiazole is FC(F)(F)Oc1ccc(C2CCCC(c3nc(C4CC4)no3)C2)cc1.
What is the InChIKey of 3-cyclopropyl-5-[3-[4-(trifluoromethoxy)phenyl]cyclohexyl]-1,2,4-oxadiazole?
The InChIKey is HAXQRSSLEXOJET-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19F3N2O2/c19-18(20,21)24-15-8-6-11(7-9-15)13-2-1-3-14(10-13)17-22-16(23-25-17)12-4-5-12/h6-9,12-14H,1-5,10H2.
What are the key properties of 3-cyclopropyl-5-[3-[4-(trifluoromethoxy)phenyl]cyclohexyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[3-[4-(trifluoromethoxy)phenyl]cyclohexyl]-1,2,4-oxadiazole has a molecular weight of 352.36 g/mol, XLogP of 5.29, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[3-[4-(trifluoromethoxy)phenyl]cyclohexyl]-1,2,4-oxadiazole is sourced from PubChem (CID 70331280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).