4-tert-butyl-N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]benzamide

C19H18FN3O2 — CID 7710249

IUPAC4-tert-butyl-N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2nonc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H18FN3O2/c1-19(2,3)14-8-4-13(5-9-14)18(24)21-17-16(22-25-23-17)12-6-10-15(20)11-7-12/h4-11H,1-3H3,(H,21,23,24)
InChIKeyXVOHUUFSPNKHTH-UHFFFAOYSA-N
MW339.37 g/mol
LogP4.43
Rot. Bonds3

About 4-tert-butyl-N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]benzamide

4-tert-butyl-N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]benzamide (PubChem CID 7710249) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is 4-tert-butyl-N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]benzamide.

Molecular Properties

Compound Name4-tert-butyl-N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]benzamide
PubChem CID7710249
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC Name4-tert-butyl-N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]benzamide
SMILESCC(C)(C)c1ccc(C(=O)Nc2nonc2-c2ccc(F)cc2)cc1
InChIInChI=1S/C19H18FN3O2/c1-19(2,3)14-8-4-13(5-9-14)18(24)21-17-16(22-25-23-17)12-6-10-15(20)11-7-12/h4-11H,1-3H3,(H,21,23,24)
InChIKeyXVOHUUFSPNKHTH-UHFFFAOYSA-N
XLogP4.43
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]benzamide?
The IUPAC name of 4-tert-butyl-N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]benzamide (CID 7710249) is 4-tert-butyl-N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]benzamide.
What is the SMILES notation for 4-tert-butyl-N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]benzamide?
The canonical SMILES for 4-tert-butyl-N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]benzamide is CC(C)(C)c1ccc(C(=O)Nc2nonc2-c2ccc(F)cc2)cc1.
What is the InChIKey of 4-tert-butyl-N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]benzamide?
The InChIKey is XVOHUUFSPNKHTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-19(2,3)14-8-4-13(5-9-14)18(24)21-17-16(22-25-23-17)12-6-10-15(20)11-7-12/h4-11H,1-3H3,(H,21,23,24).
What are the key properties of 4-tert-butyl-N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]benzamide?
4-tert-butyl-N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]benzamide has a molecular weight of 339.37 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-N-[4-(4-fluorophenyl)-1,2,5-oxadiazol-3-yl]benzamide is sourced from PubChem (CID 7710249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).