3-(2,4-difluorophenyl)-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]butanamide

C14H15F2N3O2 — CID 86783593

IUPAC3-(2,4-difluorophenyl)-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]butanamide
SMILESCC(CC(=O)NC(C)c1ncon1)c1ccc(F)cc1F
InChIInChI=1S/C14H15F2N3O2/c1-8(11-4-3-10(15)6-12(11)16)5-13(20)18-9(2)14-17-7-21-19-14/h3-4,6-9H,5H2,1-2H3,(H,18,20)
InChIKeyZXTUEPHLDSNSQM-UHFFFAOYSA-N
MW295.29 g/mol
LogP2.72
Rot. Bonds5

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

3-(2,4-difluorophenyl)-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]butanamide (PubChem CID 86783593) has the molecular formula C14H15F2N3O2 and a molecular weight of 295.29 g/mol. Its IUPAC name is 3-(2,4-difluorophenyl)-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]butanamide.

Molecular Properties

Compound Name3-(2,4-difluorophenyl)-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]butanamide
PubChem CID86783593
Molecular FormulaC14H15F2N3O2
Molecular Weight295.29 g/mol
Exact Mass295.11
IUPAC Name3-(2,4-difluorophenyl)-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]butanamide
SMILESCC(CC(=O)NC(C)c1ncon1)c1ccc(F)cc1F
InChIInChI=1S/C14H15F2N3O2/c1-8(11-4-3-10(15)6-12(11)16)5-13(20)18-9(2)14-17-7-21-19-14/h3-4,6-9H,5H2,1-2H3,(H,18,20)
InChIKeyZXTUEPHLDSNSQM-UHFFFAOYSA-N
XLogP2.72
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.29
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,4-difluorophenyl)-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]butanamide?
The IUPAC name of 3-(2,4-difluorophenyl)-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]butanamide (CID 86783593) is 3-(2,4-difluorophenyl)-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]butanamide.
What is the SMILES notation for 3-(2,4-difluorophenyl)-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]butanamide?
The canonical SMILES for 3-(2,4-difluorophenyl)-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]butanamide is CC(CC(=O)NC(C)c1ncon1)c1ccc(F)cc1F.
What is the InChIKey of 3-(2,4-difluorophenyl)-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]butanamide?
The InChIKey is ZXTUEPHLDSNSQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O2/c1-8(11-4-3-10(15)6-12(11)16)5-13(20)18-9(2)14-17-7-21-19-14/h3-4,6-9H,5H2,1-2H3,(H,18,20).
What are the key properties of 3-(2,4-difluorophenyl)-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]butanamide?
3-(2,4-difluorophenyl)-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]butanamide has a molecular weight of 295.29 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-difluorophenyl)-N-[1-(1,2,4-oxadiazol-3-yl)ethyl]butanamide is sourced from PubChem (CID 86783593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).