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

C19H26FN3O2 — CID 110314004

IUPACN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-fluorophenyl)-3-methylbutanamide
SMILESCC(C)C(C(=O)NCCc1noc(C(C)(C)C)n1)c1ccc(F)cc1
InChIInChI=1S/C19H26FN3O2/c1-12(2)16(13-6-8-14(20)9-7-13)17(24)21-11-10-15-22-18(25-23-15)19(3,4)5/h6-9,12,16H,10-11H2,1-5H3,(H,21,24)
InChIKeyNGAAXJBZVJLMJO-UHFFFAOYSA-N
MW347.43 g/mol
LogP3.60
Rot. Bonds6

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

N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-fluorophenyl)-3-methylbutanamide (PubChem CID 110314004) has the molecular formula C19H26FN3O2 and a molecular weight of 347.43 g/mol. Its IUPAC name is N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-fluorophenyl)-3-methylbutanamide.

Molecular Properties

Compound NameN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-fluorophenyl)-3-methylbutanamide
PubChem CID110314004
Molecular FormulaC19H26FN3O2
Molecular Weight347.43 g/mol
Exact Mass347.20
IUPAC NameN-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-fluorophenyl)-3-methylbutanamide
SMILESCC(C)C(C(=O)NCCc1noc(C(C)(C)C)n1)c1ccc(F)cc1
InChIInChI=1S/C19H26FN3O2/c1-12(2)16(13-6-8-14(20)9-7-13)17(24)21-11-10-15-22-18(25-23-15)19(3,4)5/h6-9,12,16H,10-11H2,1-5H3,(H,21,24)
InChIKeyNGAAXJBZVJLMJO-UHFFFAOYSA-N
XLogP3.60
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.43
LogP ≤ 53.60
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)-3-methylbutanamide?
The IUPAC name of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-fluorophenyl)-3-methylbutanamide (CID 110314004) is N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-fluorophenyl)-3-methylbutanamide.
What is the SMILES notation for N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-fluorophenyl)-3-methylbutanamide?
The canonical SMILES for N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-fluorophenyl)-3-methylbutanamide is CC(C)C(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)-3-methylbutanamide?
The InChIKey is NGAAXJBZVJLMJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN3O2/c1-12(2)16(13-6-8-14(20)9-7-13)17(24)21-11-10-15-22-18(25-23-15)19(3,4)5/h6-9,12,16H,10-11H2,1-5H3,(H,21,24).
What are the key properties of N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-fluorophenyl)-3-methylbutanamide?
N-[2-(5-tert-butyl-1,2,4-oxadiazol-3-yl)ethyl]-2-(4-fluorophenyl)-3-methylbutanamide has a molecular weight of 347.43 g/mol, XLogP of 3.60, 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)-3-methylbutanamide is sourced from PubChem (CID 110314004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).