5-[1-(2,4-difluorophenyl)cyclobutyl]-3-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole

C16H14F2N4O — CID 167956015

IUPAC5-[1-(2,4-difluorophenyl)cyclobutyl]-3-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
SMILESCc1cc(-c2noc(C3(c4ccc(F)cc4F)CCC3)n2)n[nH]1
InChIInChI=1S/C16H14F2N4O/c1-9-7-13(21-20-9)14-19-15(23-22-14)16(5-2-6-16)11-4-3-10(17)8-12(11)18/h3-4,7-8H,2,5-6H2,1H3,(H,20,21)
InChIKeyTUYSTWXVRROWOT-UHFFFAOYSA-N
MW316.31 g/mol
LogP3.52
Rot. Bonds3

About 5-[1-(2,4-difluorophenyl)cyclobutyl]-3-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole

5-[1-(2,4-difluorophenyl)cyclobutyl]-3-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole (PubChem CID 167956015) has the molecular formula C16H14F2N4O and a molecular weight of 316.31 g/mol. Its IUPAC name is 5-[1-(2,4-difluorophenyl)cyclobutyl]-3-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[1-(2,4-difluorophenyl)cyclobutyl]-3-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
PubChem CID167956015
Molecular FormulaC16H14F2N4O
Molecular Weight316.31 g/mol
Exact Mass316.11
IUPAC Name5-[1-(2,4-difluorophenyl)cyclobutyl]-3-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
SMILESCc1cc(-c2noc(C3(c4ccc(F)cc4F)CCC3)n2)n[nH]1
InChIInChI=1S/C16H14F2N4O/c1-9-7-13(21-20-9)14-19-15(23-22-14)16(5-2-6-16)11-4-3-10(17)8-12(11)18/h3-4,7-8H,2,5-6H2,1H3,(H,20,21)
InChIKeyTUYSTWXVRROWOT-UHFFFAOYSA-N
XLogP3.52
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.31
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-[1-(2,4-difluorophenyl)cyclobutyl]-3-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole with MolForge

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Related Compounds

1-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
CID 81274229
5-[1-(4-fluorophenyl)cyclopropyl]-3-(6-methylpyridazin-3-yl)-1,2,4-oxadiazole
CID 70751237
3,5-bis(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 155963709
1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 62389084
3-[1-(5-fluoro-2-methylphenyl)cyclopropyl]-5-[(2R)-2-methylpyrrolidin-2-yl]-1,2,4-oxadiazole
CID 154782809
3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743581
3-(3-fluorophenyl)-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole
CID 94069286
3-(2-bromo-4-fluorophenyl)-5-(3-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 107280145
2-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 82763318
5-(4-ethylpiperidin-4-yl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
CID 79720202
5-(3-ethylpiperidin-3-yl)-3-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazole
CID 79719832
5-[1-(2-fluorophenyl)cyclopropyl]-3-(1-methylpyrazol-4-yl)-1,2,4-oxadiazole
CID 71980373

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2,4-difluorophenyl)cyclobutyl]-3-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-[1-(2,4-difluorophenyl)cyclobutyl]-3-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole (CID 167956015) is 5-[1-(2,4-difluorophenyl)cyclobutyl]-3-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[1-(2,4-difluorophenyl)cyclobutyl]-3-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[1-(2,4-difluorophenyl)cyclobutyl]-3-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole is Cc1cc(-c2noc(C3(c4ccc(F)cc4F)CCC3)n2)n[nH]1.
What is the InChIKey of 5-[1-(2,4-difluorophenyl)cyclobutyl]-3-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole?
The InChIKey is TUYSTWXVRROWOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4O/c1-9-7-13(21-20-9)14-19-15(23-22-14)16(5-2-6-16)11-4-3-10(17)8-12(11)18/h3-4,7-8H,2,5-6H2,1H3,(H,20,21).
What are the key properties of 5-[1-(2,4-difluorophenyl)cyclobutyl]-3-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole?
5-[1-(2,4-difluorophenyl)cyclobutyl]-3-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole has a molecular weight of 316.31 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2,4-difluorophenyl)cyclobutyl]-3-(5-methyl-1H-pyrazol-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 167956015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).