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

C15H17F2N3O2 — CID 118765248

IUPAC2-(2,3-difluorophenyl)-N-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
SMILESCC(C)c1nnc(C(C)NC(=O)Cc2cccc(F)c2F)o1
InChIInChI=1S/C15H17F2N3O2/c1-8(2)14-19-20-15(22-14)9(3)18-12(21)7-10-5-4-6-11(16)13(10)17/h4-6,8-9H,7H2,1-3H3,(H,18,21)
InChIKeyWJXQPEPOMYBLNR-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.89
Rot. Bonds5

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

2-(2,3-difluorophenyl)-N-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide (PubChem CID 118765248) has the molecular formula C15H17F2N3O2 and a molecular weight of 309.32 g/mol. Its IUPAC name is 2-(2,3-difluorophenyl)-N-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-(2,3-difluorophenyl)-N-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
PubChem CID118765248
Molecular FormulaC15H17F2N3O2
Molecular Weight309.32 g/mol
Exact Mass309.13
IUPAC Name2-(2,3-difluorophenyl)-N-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide
SMILESCC(C)c1nnc(C(C)NC(=O)Cc2cccc(F)c2F)o1
InChIInChI=1S/C15H17F2N3O2/c1-8(2)14-19-20-15(22-14)9(3)18-12(21)7-10-5-4-6-11(16)13(10)17/h4-6,8-9H,7H2,1-3H3,(H,18,21)
InChIKeyWJXQPEPOMYBLNR-UHFFFAOYSA-N
XLogP2.89
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 ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2,3-difluorophenyl)-N-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-(2,3-difluorophenyl)-N-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide (CID 118765248) is 2-(2,3-difluorophenyl)-N-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-(2,3-difluorophenyl)-N-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-(2,3-difluorophenyl)-N-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide is CC(C)c1nnc(C(C)NC(=O)Cc2cccc(F)c2F)o1.
What is the InChIKey of 2-(2,3-difluorophenyl)-N-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide?
The InChIKey is WJXQPEPOMYBLNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F2N3O2/c1-8(2)14-19-20-15(22-14)9(3)18-12(21)7-10-5-4-6-11(16)13(10)17/h4-6,8-9H,7H2,1-3H3,(H,18,21).
What are the key properties of 2-(2,3-difluorophenyl)-N-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide?
2-(2,3-difluorophenyl)-N-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide has a molecular weight of 309.32 g/mol, XLogP of 2.89, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-difluorophenyl)-N-[1-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 118765248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).