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

C15H13F3N2O2 — CID 71874131

IUPAC3-cyclopropyl-5-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]-1,2,4-oxadiazole
SMILESFC(F)(F)Oc1ccccc1C1CC1c1nc(C2CC2)no1
InChIInChI=1S/C15H13F3N2O2/c16-15(17,18)21-12-4-2-1-3-9(12)10-7-11(10)14-19-13(20-22-14)8-5-6-8/h1-4,8,10-11H,5-7H2
InChIKeyRAENOSSIBMQFMX-UHFFFAOYSA-N
MW310.27 g/mol
LogP4.12
Rot. Bonds4

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

3-cyclopropyl-5-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]-1,2,4-oxadiazole (PubChem CID 71874131) has the molecular formula C15H13F3N2O2 and a molecular weight of 310.27 g/mol. Its IUPAC name is 3-cyclopropyl-5-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]-1,2,4-oxadiazole
PubChem CID71874131
Molecular FormulaC15H13F3N2O2
Molecular Weight310.27 g/mol
Exact Mass310.09
IUPAC Name3-cyclopropyl-5-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]-1,2,4-oxadiazole
SMILESFC(F)(F)Oc1ccccc1C1CC1c1nc(C2CC2)no1
InChIInChI=1S/C15H13F3N2O2/c16-15(17,18)21-12-4-2-1-3-9(12)10-7-11(10)14-19-13(20-22-14)8-5-6-8/h1-4,8,10-11H,5-7H2
InChIKeyRAENOSSIBMQFMX-UHFFFAOYSA-N
XLogP4.12
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.27
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]-1,2,4-oxadiazole (CID 71874131) is 3-cyclopropyl-5-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]-1,2,4-oxadiazole is FC(F)(F)Oc1ccccc1C1CC1c1nc(C2CC2)no1.
What is the InChIKey of 3-cyclopropyl-5-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]-1,2,4-oxadiazole?
The InChIKey is RAENOSSIBMQFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F3N2O2/c16-15(17,18)21-12-4-2-1-3-9(12)10-7-11(10)14-19-13(20-22-14)8-5-6-8/h1-4,8,10-11H,5-7H2.
What are the key properties of 3-cyclopropyl-5-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]-1,2,4-oxadiazole has a molecular weight of 310.27 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[2-[2-(trifluoromethoxy)phenyl]cyclopropyl]-1,2,4-oxadiazole is sourced from PubChem (CID 71874131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).