2-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]-2-(3-fluorophenyl)acetamide

C16H19FN4O2 — CID 56792222

IUPAC2-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]-2-(3-fluorophenyl)acetamide
SMILESCN(Cc1nnc(C2CCC2)o1)C(C(N)=O)c1cccc(F)c1
InChIInChI=1S/C16H19FN4O2/c1-21(9-13-19-20-16(23-13)10-4-2-5-10)14(15(18)22)11-6-3-7-12(17)8-11/h3,6-8,10,14H,2,4-5,9H2,1H3,(H2,18,22)
InChIKeyOCTKCLGLMOFQTD-UHFFFAOYSA-N
MW318.35 g/mol
LogP2.13
Rot. Bonds6

About 2-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]-2-(3-fluorophenyl)acetamide

2-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]-2-(3-fluorophenyl)acetamide (PubChem CID 56792222) has the molecular formula C16H19FN4O2 and a molecular weight of 318.35 g/mol. Its IUPAC name is 2-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound Name2-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]-2-(3-fluorophenyl)acetamide
PubChem CID56792222
Molecular FormulaC16H19FN4O2
Molecular Weight318.35 g/mol
Exact Mass318.15
IUPAC Name2-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]-2-(3-fluorophenyl)acetamide
SMILESCN(Cc1nnc(C2CCC2)o1)C(C(N)=O)c1cccc(F)c1
InChIInChI=1S/C16H19FN4O2/c1-21(9-13-19-20-16(23-13)10-4-2-5-10)14(15(18)22)11-6-3-7-12(17)8-11/h3,6-8,10,14H,2,4-5,9H2,1H3,(H2,18,22)
InChIKeyOCTKCLGLMOFQTD-UHFFFAOYSA-N
XLogP2.13
TPSA85.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.35
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]-2-(3-fluorophenyl)acetamide?
The IUPAC name of 2-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]-2-(3-fluorophenyl)acetamide (CID 56792222) is 2-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for 2-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]-2-(3-fluorophenyl)acetamide?
The canonical SMILES for 2-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]-2-(3-fluorophenyl)acetamide is CN(Cc1nnc(C2CCC2)o1)C(C(N)=O)c1cccc(F)c1.
What is the InChIKey of 2-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]-2-(3-fluorophenyl)acetamide?
The InChIKey is OCTKCLGLMOFQTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19FN4O2/c1-21(9-13-19-20-16(23-13)10-4-2-5-10)14(15(18)22)11-6-3-7-12(17)8-11/h3,6-8,10,14H,2,4-5,9H2,1H3,(H2,18,22).
What are the key properties of 2-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]-2-(3-fluorophenyl)acetamide?
2-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]-2-(3-fluorophenyl)acetamide has a molecular weight of 318.35 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl-methylamino]-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 56792222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).