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

C16H15FN4O2 — CID 136569592

IUPAC5-(2-cyclobutylpyrazol-3-yl)-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole
SMILESFc1cccc(OCc2noc(-c3ccnn3C3CCC3)n2)c1
InChIInChI=1S/C16H15FN4O2/c17-11-3-1-6-13(9-11)22-10-15-19-16(23-20-15)14-7-8-18-21(14)12-4-2-5-12/h1,3,6-9,12H,2,4-5,10H2
InChIKeyYOGUXXZUTOCGHB-UHFFFAOYSA-N
MW314.32 g/mol
LogP3.38
Rot. Bonds5

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

5-(2-cyclobutylpyrazol-3-yl)-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole (PubChem CID 136569592) has the molecular formula C16H15FN4O2 and a molecular weight of 314.32 g/mol. Its IUPAC name is 5-(2-cyclobutylpyrazol-3-yl)-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-cyclobutylpyrazol-3-yl)-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole
PubChem CID136569592
Molecular FormulaC16H15FN4O2
Molecular Weight314.32 g/mol
Exact Mass314.12
IUPAC Name5-(2-cyclobutylpyrazol-3-yl)-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole
SMILESFc1cccc(OCc2noc(-c3ccnn3C3CCC3)n2)c1
InChIInChI=1S/C16H15FN4O2/c17-11-3-1-6-13(9-11)22-10-15-19-16(23-20-15)14-7-8-18-21(14)12-4-2-5-12/h1,3,6-9,12H,2,4-5,10H2
InChIKeyYOGUXXZUTOCGHB-UHFFFAOYSA-N
XLogP3.38
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.32
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2R)-2-[5-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone
CID 68687920
1-[(2R)-2-[5-(2,5-dimethylpyrazol-3-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]-2-phenoxyethanone
CID 68689450
2-phenoxy-1-[(2R)-2-[5-(1H-pyrazol-5-yl)-1,2,4-oxadiazol-3-yl]piperidin-1-yl]ethanone
CID 68690761
5-[(2-fluorophenoxy)methyl]-N-methyl-N-[1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-1H-pyrazole-3-carboxamide
CID 56740946
(3-{5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-yl}piperidino)(1-methyl-1H-pyrazol-5-yl)methanone
CID 91918567
3-[1-(1-Ethyl-1H-pyrazole-5-carbonyl)pyrrolidin-3-YL]-5-[(4-fluorophenoxy)methyl]-1,2,4-oxadiazole
CID 91909844
3-[4-(4-fluorophenoxy)phenyl]-5-(1-methyl-1H-pyrazol-5-yl)-1,2,4-oxadiazole
CID 53035359
5-(1-ethyl-1H-pyrazol-3-yl)-3-[4-(4-fluorophenoxy)phenyl]-1,2,4-oxadiazole
CID 53103366
N-ethyl-5-[(3-fluorophenoxy)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-3-carboxamide
CID 56740623
N-ethyl-5-[(2-fluorophenoxy)methyl]-N-[(3-methyl-1,2,4-oxadiazol-5-yl)methyl]-1H-pyrazole-3-carboxamide
CID 56742250
1-(1-Ethyl-1H-pyrazole-3-carbonyl)-3-{5-[(2-fluorophenoxy)methyl]-1,2,4-oxadiazol-3-YL}piperidine
CID 91907952
5-[(4-Fluorophenoxy)methyl]-3-[1-(1H-pyrazole-3-carbonyl)pyrrolidin-3-YL]-1,2,4-oxadiazole
CID 91909842

Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclobutylpyrazol-3-yl)-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(2-cyclobutylpyrazol-3-yl)-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole (CID 136569592) is 5-(2-cyclobutylpyrazol-3-yl)-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-cyclobutylpyrazol-3-yl)-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-cyclobutylpyrazol-3-yl)-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole is Fc1cccc(OCc2noc(-c3ccnn3C3CCC3)n2)c1.
What is the InChIKey of 5-(2-cyclobutylpyrazol-3-yl)-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole?
The InChIKey is YOGUXXZUTOCGHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FN4O2/c17-11-3-1-6-13(9-11)22-10-15-19-16(23-20-15)14-7-8-18-21(14)12-4-2-5-12/h1,3,6-9,12H,2,4-5,10H2.
What are the key properties of 5-(2-cyclobutylpyrazol-3-yl)-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole?
5-(2-cyclobutylpyrazol-3-yl)-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole has a molecular weight of 314.32 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclobutylpyrazol-3-yl)-3-[(3-fluorophenoxy)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 136569592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).