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

C19H18FN3O2 — CID 3770450

IUPACN-tert-butyl-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide
SMILESCC(C)(C)NC(=O)c1ccccc1-c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C19H18FN3O2/c1-19(2,3)22-17(24)14-6-4-5-7-15(14)18-21-16(23-25-18)12-8-10-13(20)11-9-12/h4-11H,1-3H3,(H,22,24)
InChIKeyORQCCKXSTGWOAE-UHFFFAOYSA-N
MW339.37 g/mol
LogP4.07
Rot. Bonds3

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

N-tert-butyl-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide (PubChem CID 3770450) has the molecular formula C19H18FN3O2 and a molecular weight of 339.37 g/mol. Its IUPAC name is N-tert-butyl-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide.

Molecular Properties

Compound NameN-tert-butyl-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide
PubChem CID3770450
Molecular FormulaC19H18FN3O2
Molecular Weight339.37 g/mol
Exact Mass339.14
IUPAC NameN-tert-butyl-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide
SMILESCC(C)(C)NC(=O)c1ccccc1-c1nc(-c2ccc(F)cc2)no1
InChIInChI=1S/C19H18FN3O2/c1-19(2,3)22-17(24)14-6-4-5-7-15(14)18-21-16(23-25-18)12-8-10-13(20)11-9-12/h4-11H,1-3H3,(H,22,24)
InChIKeyORQCCKXSTGWOAE-UHFFFAOYSA-N
XLogP4.07
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 ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide?
The IUPAC name of N-tert-butyl-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide (CID 3770450) is N-tert-butyl-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide.
What is the SMILES notation for N-tert-butyl-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide?
The canonical SMILES for N-tert-butyl-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide is CC(C)(C)NC(=O)c1ccccc1-c1nc(-c2ccc(F)cc2)no1.
What is the InChIKey of N-tert-butyl-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide?
The InChIKey is ORQCCKXSTGWOAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2/c1-19(2,3)22-17(24)14-6-4-5-7-15(14)18-21-16(23-25-18)12-8-10-13(20)11-9-12/h4-11H,1-3H3,(H,22,24).
What are the key properties of N-tert-butyl-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide?
N-tert-butyl-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide has a molecular weight of 339.37 g/mol, XLogP of 4.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzamide is sourced from PubChem (CID 3770450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).