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

C18H24FN3O2 — CID 110354951

IUPACN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-fluorophenyl)butanamide
SMILESCCC(C(=O)NCCc1noc(C(C)(C)C)n1)c1ccc(F)cc1
InChIInChI=1S/C18H24FN3O2/c1-5-14(12-6-8-13(19)9-7-12)16(23)20-11-10-15-21-17(24-22-15)18(2,3)4/h6-9,14H,5,10-11H2,1-4H3,(H,20,23)
InChIKeyQHHUHBMFQWSUJJ-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.36
Rot. Bonds6

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

N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-fluorophenyl)butanamide (PubChem CID 110354951) has the molecular formula C18H24FN3O2 and a molecular weight of 333.41 g/mol. Its IUPAC name is N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-fluorophenyl)butanamide.

Molecular Properties

Compound NameN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-fluorophenyl)butanamide
PubChem CID110354951
Molecular FormulaC18H24FN3O2
Molecular Weight333.41 g/mol
Exact Mass333.19
IUPAC NameN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-fluorophenyl)butanamide
SMILESCCC(C(=O)NCCc1noc(C(C)(C)C)n1)c1ccc(F)cc1
InChIInChI=1S/C18H24FN3O2/c1-5-14(12-6-8-13(19)9-7-12)16(23)20-11-10-15-21-17(24-22-15)18(2,3)4/h6-9,14H,5,10-11H2,1-4H3,(H,20,23)
InChIKeyQHHUHBMFQWSUJJ-UHFFFAOYSA-N
XLogP3.36
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-fluorophenyl)butanamide?
The IUPAC name of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-fluorophenyl)butanamide (CID 110354951) is N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-fluorophenyl)butanamide.
What is the SMILES notation for N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-fluorophenyl)butanamide?
The canonical SMILES for N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-fluorophenyl)butanamide is CCC(C(=O)NCCc1noc(C(C)(C)C)n1)c1ccc(F)cc1.
What is the InChIKey of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-fluorophenyl)butanamide?
The InChIKey is QHHUHBMFQWSUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24FN3O2/c1-5-14(12-6-8-13(19)9-7-12)16(23)20-11-10-15-21-17(24-22-15)18(2,3)4/h6-9,14H,5,10-11H2,1-4H3,(H,20,23).
What are the key properties of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-fluorophenyl)butanamide?
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-fluorophenyl)butanamide has a molecular weight of 333.41 g/mol, XLogP of 3.36, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-fluorophenyl)butanamide is sourced from PubChem (CID 110354951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).