4,4,4-trifluoro-N-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide

C11H16F3N3O2 — CID 86286624

IUPAC4,4,4-trifluoro-N-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide
SMILESCC(C)c1nnc(C(C)NC(=O)CCC(F)(F)F)o1
InChIInChI=1S/C11H16F3N3O2/c1-6(2)9-16-17-10(19-9)7(3)15-8(18)4-5-11(12,13)14/h6-7H,4-5H2,1-3H3,(H,15,18)
InChIKeyVJDNIIWUBMRACM-UHFFFAOYSA-N
MW279.26 g/mol
LogP2.71
Rot. Bonds5

About 4,4,4-trifluoro-N-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide

4,4,4-trifluoro-N-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide (PubChem CID 86286624) has the molecular formula C11H16F3N3O2 and a molecular weight of 279.26 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide
PubChem CID86286624
Molecular FormulaC11H16F3N3O2
Molecular Weight279.26 g/mol
Exact Mass279.12
IUPAC Name4,4,4-trifluoro-N-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide
SMILESCC(C)c1nnc(C(C)NC(=O)CCC(F)(F)F)o1
InChIInChI=1S/C11H16F3N3O2/c1-6(2)9-16-17-10(19-9)7(3)15-8(18)4-5-11(12,13)14/h6-7H,4-5H2,1-3H3,(H,15,18)
InChIKeyVJDNIIWUBMRACM-UHFFFAOYSA-N
XLogP2.71
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.26
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide (CID 86286624) is 4,4,4-trifluoro-N-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide is CC(C)c1nnc(C(C)NC(=O)CCC(F)(F)F)o1.
What is the InChIKey of 4,4,4-trifluoro-N-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide?
The InChIKey is VJDNIIWUBMRACM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O2/c1-6(2)9-16-17-10(19-9)7(3)15-8(18)4-5-11(12,13)14/h6-7H,4-5H2,1-3H3,(H,15,18).
What are the key properties of 4,4,4-trifluoro-N-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide?
4,4,4-trifluoro-N-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide has a molecular weight of 279.26 g/mol, XLogP of 2.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]butanamide is sourced from PubChem (CID 86286624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).