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

C19H26FN3O2 — CID 56814365

IUPAC3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide
SMILESCCN(C(=O)CCc1nc(C(C)(C)C)no1)C(C)c1ccc(F)cc1
InChIInChI=1S/C19H26FN3O2/c1-6-23(13(2)14-7-9-15(20)10-8-14)17(24)12-11-16-21-18(22-25-16)19(3,4)5/h7-10,13H,6,11-12H2,1-5H3
InChIKeyIQWGCIILLBCNHE-UHFFFAOYSA-N
MW347.43 g/mol
LogP4.05
Rot. Bonds6

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

3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide (PubChem CID 56814365) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide
PubChem CID56814365
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC Name3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide
SMILESCCN(C(=O)CCc1nc(C(C)(C)C)no1)C(C)c1ccc(F)cc1
InChIInChI=1S/C19H26FN3O2/c1-6-23(13(2)14-7-9-15(20)10-8-14)17(24)12-11-16-21-18(22-25-16)19(3,4)5/h7-10,13H,6,11-12H2,1-5H3
InChIKeyIQWGCIILLBCNHE-UHFFFAOYSA-N
XLogP4.05
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 54.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide?
The IUPAC name of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide (CID 56814365) is 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide.
What is the SMILES notation for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide?
The canonical SMILES for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide is CCN(C(=O)CCc1nc(C(C)(C)C)no1)C(C)c1ccc(F)cc1.
What is the InChIKey of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide?
The InChIKey is IQWGCIILLBCNHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-6-23(13(2)14-7-9-15(20)10-8-14)17(24)12-11-16-21-18(22-25-16)19(3,4)5/h7-10,13H,6,11-12H2,1-5H3.
What are the key properties of 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide?
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide has a molecular weight of 347.43 g/mol, XLogP of 4.05, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-ethyl-N-[1-(4-fluorophenyl)ethyl]propanamide is sourced from PubChem (CID 56814365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).