3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2,4-difluorophenyl)benzamide

C19H15F2N3O2 — CID 50779088

IUPAC3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2,4-difluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)cc1F)c1cccc(-c2noc(C3CCC3)n2)c1
InChIInChI=1S/C19H15F2N3O2/c20-14-7-8-16(15(21)10-14)22-18(25)13-6-2-5-12(9-13)17-23-19(26-24-17)11-3-1-4-11/h2,5-11H,1,3-4H2,(H,22,25)
InChIKeySGYKSDSWUHIRCU-UHFFFAOYSA-N
MW355.34 g/mol
LogP4.53
Rot. Bonds4

About 3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2,4-difluorophenyl)benzamide

3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2,4-difluorophenyl)benzamide (PubChem CID 50779088) has the molecular formula C19H15F2N3O2 and a molecular weight of 355.34 g/mol. Its IUPAC name is 3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2,4-difluorophenyl)benzamide.

Molecular Properties

Compound Name3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2,4-difluorophenyl)benzamide
PubChem CID50779088
Molecular FormulaC19H15F2N3O2
Molecular Weight355.34 g/mol
Exact Mass355.11
IUPAC Name3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2,4-difluorophenyl)benzamide
SMILESO=C(Nc1ccc(F)cc1F)c1cccc(-c2noc(C3CCC3)n2)c1
InChIInChI=1S/C19H15F2N3O2/c20-14-7-8-16(15(21)10-14)22-18(25)13-6-2-5-12(9-13)17-23-19(26-24-17)11-3-1-4-11/h2,5-11H,1,3-4H2,(H,22,25)
InChIKeySGYKSDSWUHIRCU-UHFFFAOYSA-N
XLogP4.53
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.34
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(3-fluorophenyl)benzamide
CID 50779153
3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(4-ethylphenyl)benzamide
CID 50779132
3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2,5-dimethoxyphenyl)benzamide
CID 50779005
N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]-3,4-difluorobenzamide
CID 53041769
3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(4-sulfamoylphenyl)benzamide
CID 50778913
4-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-N-(3-fluorophenyl)benzamide
CID 50767516
3-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-N-(5-phenyl-1H-pyrazol-4-yl)benzamide
CID 166191116
4-chloro-N-[3-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)phenyl]benzamide
CID 53041787
1-[5-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-2-methylphenyl]-N-(2,4-difluorophenyl)-3-methylpyrazole-4-carboxamide
CID 50821188
(2R)-N-(2,4-difluorophenyl)-2-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 7301895
4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2,4-difluorophenyl)thiophene-2-sulfonamide
CID 53042744
3-N-cyclopentyl-1-N-(2,4-difluorophenyl)benzene-1,3-dicarboxamide
CID 109051946

Frequently Asked Questions

What is the IUPAC name of 3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2,4-difluorophenyl)benzamide?
The IUPAC name of 3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2,4-difluorophenyl)benzamide (CID 50779088) is 3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2,4-difluorophenyl)benzamide.
What is the SMILES notation for 3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2,4-difluorophenyl)benzamide?
The canonical SMILES for 3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2,4-difluorophenyl)benzamide is O=C(Nc1ccc(F)cc1F)c1cccc(-c2noc(C3CCC3)n2)c1.
What is the InChIKey of 3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2,4-difluorophenyl)benzamide?
The InChIKey is SGYKSDSWUHIRCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N3O2/c20-14-7-8-16(15(21)10-14)22-18(25)13-6-2-5-12(9-13)17-23-19(26-24-17)11-3-1-4-11/h2,5-11H,1,3-4H2,(H,22,25).
What are the key properties of 3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2,4-difluorophenyl)benzamide?
3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2,4-difluorophenyl)benzamide has a molecular weight of 355.34 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-(2,4-difluorophenyl)benzamide is sourced from PubChem (CID 50779088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).