5-cyclopropyl-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole

C12H11FN2O2 — CID 63861878

IUPAC5-cyclopropyl-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole
SMILESFc1cccc(OCc2noc(C3CC3)n2)c1
InChIInChI=1S/C12H11FN2O2/c13-9-2-1-3-10(6-9)16-7-11-14-12(17-15-11)8-4-5-8/h1-3,6,8H,4-5,7H2
InChIKeyROQZIBJUWZADFA-UHFFFAOYSA-N
MW234.23 g/mol
LogP2.67
Rot. Bonds4

About 5-cyclopropyl-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole

5-cyclopropyl-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole (PubChem CID 63861878) has the molecular formula C12H11FN2O2 and a molecular weight of 234.23 g/mol. Its IUPAC name is 5-cyclopropyl-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-cyclopropyl-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole
PubChem CID63861878
Molecular FormulaC12H11FN2O2
Molecular Weight234.23 g/mol
Exact Mass234.08
IUPAC Name5-cyclopropyl-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole
SMILESFc1cccc(OCc2noc(C3CC3)n2)c1
InChIInChI=1S/C12H11FN2O2/c13-9-2-1-3-10(6-9)16-7-11-14-12(17-15-11)8-4-5-8/h1-3,6,8H,4-5,7H2
InChIKeyROQZIBJUWZADFA-UHFFFAOYSA-N
XLogP2.67
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.23
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]aniline
CID 54959696
5-[(2R)-azetidin-2-yl]-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole;hydrochloride
CID 120893749
2-[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]acetic acid
CID 61496904
5-(oxan-4-yl)-3-(phenoxymethyl)-1,2,4-oxadiazole
CID 138999515
N-[[3-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]phenyl]methyl]propan-1-amine
CID 61496946
(2S)-2-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]morpholine;hydrochloride
CID 120893635
1-(4-ethylphenyl)-4-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 126781592
1-cyclopropyl-N-[[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 120893699
1-(4-fluoro-3-methylphenyl)-4-[3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 126780599
cis-(1S,3R)-3-[3-(phenoxymethyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323295
[2-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methoxy]-3-fluorophenyl]methanamine
CID 112608114
5-cyclopropyl-3-[(5-fluoro-2-nitrophenoxy)methyl]-1,2,4-oxadiazole
CID 47394070

Frequently Asked Questions

What is the IUPAC name of 5-cyclopropyl-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-cyclopropyl-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole (CID 63861878) is 5-cyclopropyl-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-cyclopropyl-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-cyclopropyl-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole is Fc1cccc(OCc2noc(C3CC3)n2)c1.
What is the InChIKey of 5-cyclopropyl-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole?
The InChIKey is ROQZIBJUWZADFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN2O2/c13-9-2-1-3-10(6-9)16-7-11-14-12(17-15-11)8-4-5-8/h1-3,6,8H,4-5,7H2.
What are the key properties of 5-cyclopropyl-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole?
5-cyclopropyl-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole has a molecular weight of 234.23 g/mol, XLogP of 2.67, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-cyclopropyl-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 63861878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).