N-[3-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)propyl]-2,2,2-trifluoroacetamide

C11H16F3N3O3 — CID 146082891

IUPACN-[3-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)propyl]-2,2,2-trifluoroacetamide
SMILESCC(C)(C)c1noc(=O)n1CCCNC(=O)C(F)(F)F
InChIInChI=1S/C11H16F3N3O3/c1-10(2,3)7-16-20-9(19)17(7)6-4-5-15-8(18)11(12,13)14/h4-6H2,1-3H3,(H,15,18)
InChIKeySMOBUCSYQYIDND-UHFFFAOYSA-N
MW295.26 g/mol
LogP1.20
Rot. Bonds4

About N-[3-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)propyl]-2,2,2-trifluoroacetamide

N-[3-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)propyl]-2,2,2-trifluoroacetamide (PubChem CID 146082891) has the molecular formula C11H16F3N3O3 and a molecular weight of 295.26 g/mol. Its IUPAC name is N-[3-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)propyl]-2,2,2-trifluoroacetamide.

Molecular Properties

Compound NameN-[3-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)propyl]-2,2,2-trifluoroacetamide
PubChem CID146082891
Molecular FormulaC11H16F3N3O3
Molecular Weight295.26 g/mol
Exact Mass295.11
IUPAC NameN-[3-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)propyl]-2,2,2-trifluoroacetamide
SMILESCC(C)(C)c1noc(=O)n1CCCNC(=O)C(F)(F)F
InChIInChI=1S/C11H16F3N3O3/c1-10(2,3)7-16-20-9(19)17(7)6-4-5-15-8(18)11(12,13)14/h4-6H2,1-3H3,(H,15,18)
InChIKeySMOBUCSYQYIDND-UHFFFAOYSA-N
XLogP1.20
TPSA77.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 146082744
2-(5-oxo-3-propan-2-yl-1,2,4-oxadiazol-4-yl)-N-(2,2,2-trifluoroethyl)acetamide
CID 146082827
N-[2-methyl-2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)propyl]acetamide
CID 137106092
2-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)-N-ethylacetamide
CID 146082711

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)propyl]-2,2,2-trifluoroacetamide?
The IUPAC name of N-[3-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)propyl]-2,2,2-trifluoroacetamide (CID 146082891) is N-[3-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)propyl]-2,2,2-trifluoroacetamide.
What is the SMILES notation for N-[3-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)propyl]-2,2,2-trifluoroacetamide?
The canonical SMILES for N-[3-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)propyl]-2,2,2-trifluoroacetamide is CC(C)(C)c1noc(=O)n1CCCNC(=O)C(F)(F)F.
What is the InChIKey of N-[3-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)propyl]-2,2,2-trifluoroacetamide?
The InChIKey is SMOBUCSYQYIDND-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O3/c1-10(2,3)7-16-20-9(19)17(7)6-4-5-15-8(18)11(12,13)14/h4-6H2,1-3H3,(H,15,18).
What are the key properties of N-[3-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)propyl]-2,2,2-trifluoroacetamide?
N-[3-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)propyl]-2,2,2-trifluoroacetamide has a molecular weight of 295.26 g/mol, XLogP of 1.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-tert-butyl-5-oxo-1,2,4-oxadiazol-4-yl)propyl]-2,2,2-trifluoroacetamide is sourced from PubChem (CID 146082891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).