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

C18H15FN2O2 — CID 42851402

IUPAC5-cyclopropyl-3-[4-[(4-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazole
SMILESFc1ccc(COc2ccc(-c3noc(C4CC4)n3)cc2)cc1
InChIInChI=1S/C18H15FN2O2/c19-15-7-1-12(2-8-15)11-22-16-9-5-13(6-10-16)17-20-18(23-21-17)14-3-4-14/h1-2,5-10,14H,3-4,11H2
InChIKeyWOLUNAYHKZELLE-UHFFFAOYSA-N
MW310.33 g/mol
LogP4.33
Rot. Bonds5

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

5-cyclopropyl-3-[4-[(4-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazole (PubChem CID 42851402) has the molecular formula C18H15FN2O2 and a molecular weight of 310.33 g/mol. Its IUPAC name is 5-cyclopropyl-3-[4-[(4-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[4-[(4-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazole
PubChem CID42851402
Molecular FormulaC18H15FN2O2
Molecular Weight310.33 g/mol
Exact Mass310.11
IUPAC Name5-cyclopropyl-3-[4-[(4-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazole
SMILESFc1ccc(COc2ccc(-c3noc(C4CC4)n3)cc2)cc1
InChIInChI=1S/C18H15FN2O2/c19-15-7-1-12(2-8-15)11-22-16-9-5-13(6-10-16)17-20-18(23-21-17)14-3-4-14/h1-2,5-10,14H,3-4,11H2
InChIKeyWOLUNAYHKZELLE-UHFFFAOYSA-N
XLogP4.33
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.33
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[4-[(4-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-[4-[(4-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazole (CID 42851402) is 5-cyclopropyl-3-[4-[(4-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-[4-[(4-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-[4-[(4-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazole is Fc1ccc(COc2ccc(-c3noc(C4CC4)n3)cc2)cc1.
What is the InChIKey of 5-cyclopropyl-3-[4-[(4-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazole?
The InChIKey is WOLUNAYHKZELLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O2/c19-15-7-1-12(2-8-15)11-22-16-9-5-13(6-10-16)17-20-18(23-21-17)14-3-4-14/h1-2,5-10,14H,3-4,11H2.
What are the key properties of 5-cyclopropyl-3-[4-[(4-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazole?
5-cyclopropyl-3-[4-[(4-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazole has a molecular weight of 310.33 g/mol, XLogP of 4.33, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[4-[(4-fluorophenyl)methoxy]phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 42851402), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).