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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Related Compounds

5-[(2S,4S)-2-methylpiperidin-4-yl]-3-[4-(phenoxymethyl)phenyl]-1,2,4-oxadiazole
CID 120839428
3-[4-(4-fluorophenyl)phenyl]-5-(4-propylcyclohexyl)-1,2,4-oxadiazole
CID 3095336
(E)-2-[[4-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenoxy]methyl]-3-fluoroprop-2-en-1-amine;hydrochloride
CID 162314553
5-[(4-fluorophenoxy)methyl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 2227874
5-cyclopropyl-3-[4-[2-[(2S)-oxan-2-yl]oxyethoxy]phenyl]-1,2,4-oxadiazole
CID 99842278
2-(4-fluorophenoxy)-1-[3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-8-azabicyclo[3.2.1]octan-8-yl]ethanone
CID 171148685
1-[4-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-[4-(tetrazol-1-yl)phenoxy]ethanone
CID 91946446
1-[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-(4-fluorophenyl)ethanone
CID 42760561
1-fluoro-4-[[4-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]phenyl]methoxy]benzene
CID 129203352
2-(4-fluorophenyl)-1-[3-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]ethanone
CID 66618684
N-[3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)phenyl]-2-(4-fluorophenyl)acetamide
CID 53041733
N-[[4-[(4-fluorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62454139

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).