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

C11H16F3N3O3 — CID 91841075

IUPAC4,4,4-trifluoro-N-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide
SMILESCOCCc1noc(C(C)NC(=O)CCC(F)(F)F)n1
InChIInChI=1S/C11H16F3N3O3/c1-7(15-9(18)3-5-11(12,13)14)10-16-8(17-20-10)4-6-19-2/h7H,3-6H2,1-2H3,(H,15,18)
InChIKeyRIDAOPWZJIFWIQ-UHFFFAOYSA-N
MW295.26 g/mol
LogP1.78
Rot. Bonds7

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

4,4,4-trifluoro-N-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide (PubChem CID 91841075) has the molecular formula C11H16F3N3O3 and a molecular weight of 295.26 g/mol. Its IUPAC name is 4,4,4-trifluoro-N-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide.

Molecular Properties

Compound Name4,4,4-trifluoro-N-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide
PubChem CID91841075
Molecular FormulaC11H16F3N3O3
Molecular Weight295.26 g/mol
Exact Mass295.11
IUPAC Name4,4,4-trifluoro-N-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide
SMILESCOCCc1noc(C(C)NC(=O)CCC(F)(F)F)n1
InChIInChI=1S/C11H16F3N3O3/c1-7(15-9(18)3-5-11(12,13)14)10-16-8(17-20-10)4-6-19-2/h7H,3-6H2,1-2H3,(H,15,18)
InChIKeyRIDAOPWZJIFWIQ-UHFFFAOYSA-N
XLogP1.78
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.26
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,4,4-trifluoro-N-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide?
The IUPAC name of 4,4,4-trifluoro-N-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide (CID 91841075) is 4,4,4-trifluoro-N-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide.
What is the SMILES notation for 4,4,4-trifluoro-N-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide?
The canonical SMILES for 4,4,4-trifluoro-N-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide is COCCc1noc(C(C)NC(=O)CCC(F)(F)F)n1.
What is the InChIKey of 4,4,4-trifluoro-N-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide?
The InChIKey is RIDAOPWZJIFWIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O3/c1-7(15-9(18)3-5-11(12,13)14)10-16-8(17-20-10)4-6-19-2/h7H,3-6H2,1-2H3,(H,15,18).
What are the key properties of 4,4,4-trifluoro-N-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide?
4,4,4-trifluoro-N-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide has a molecular weight of 295.26 g/mol, XLogP of 1.78, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,4-trifluoro-N-[1-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]ethyl]butanamide is sourced from PubChem (CID 91841075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).