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

C15H17F2N3O2 — CID 56790077

IUPACN-[2-[5-[2-(2,3-difluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1noc(CCc2cccc(F)c2F)n1
InChIInChI=1S/C15H17F2N3O2/c1-9(21)19-15(2,3)14-18-12(22-20-14)8-7-10-5-4-6-11(16)13(10)17/h4-6H,7-8H2,1-3H3,(H,19,21)
InChIKeyQNSAQKYQJHYKEN-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.50
Rot. Bonds5

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

N-[2-[5-[2-(2,3-difluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide (PubChem CID 56790077) has the molecular formula C15H17F2N3O2 and a molecular weight of 309.32 g/mol. Its IUPAC name is N-[2-[5-[2-(2,3-difluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide.

Molecular Properties

Compound NameN-[2-[5-[2-(2,3-difluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
PubChem CID56790077
Molecular FormulaC15H17F2N3O2
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC NameN-[2-[5-[2-(2,3-difluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide
SMILESCC(=O)NC(C)(C)c1noc(CCc2cccc(F)c2F)n1
InChIInChI=1S/C15H17F2N3O2/c1-9(21)19-15(2,3)14-18-12(22-20-14)8-7-10-5-4-6-11(16)13(10)17/h4-6H,7-8H2,1-3H3,(H,19,21)
InChIKeyQNSAQKYQJHYKEN-UHFFFAOYSA-N
XLogP2.50
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[2-(2,3-difluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The IUPAC name of N-[2-[5-[2-(2,3-difluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide (CID 56790077) is N-[2-[5-[2-(2,3-difluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide.
What is the SMILES notation for N-[2-[5-[2-(2,3-difluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The canonical SMILES for N-[2-[5-[2-(2,3-difluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide is CC(=O)NC(C)(C)c1noc(CCc2cccc(F)c2F)n1.
What is the InChIKey of N-[2-[5-[2-(2,3-difluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
The InChIKey is QNSAQKYQJHYKEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O2/c1-9(21)19-15(2,3)14-18-12(22-20-14)8-7-10-5-4-6-11(16)13(10)17/h4-6H,7-8H2,1-3H3,(H,19,21).
What are the key properties of N-[2-[5-[2-(2,3-difluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide?
N-[2-[5-[2-(2,3-difluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide has a molecular weight of 309.32 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[2-(2,3-difluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]propan-2-yl]acetamide is sourced from PubChem (CID 56790077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).