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

C15H19FN4O2 — CID 50971959

IUPACN-[(2-fluorophenyl)methyl]-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]acetamide
SMILESCCC(NCC(=O)NCc1ccccc1F)c1nc(C)no1
InChIInChI=1S/C15H19FN4O2/c1-3-13(15-19-10(2)20-22-15)17-9-14(21)18-8-11-6-4-5-7-12(11)16/h4-7,13,17H,3,8-9H2,1-2H3,(H,18,21)
InChIKeyHIWQXHHQFKTAEB-UHFFFAOYSA-N
MW306.34 g/mol
LogP1.87
Rot. Bonds7

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

N-[(2-fluorophenyl)methyl]-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]acetamide (PubChem CID 50971959) has the molecular formula C15H19FN4O2 and a molecular weight of 306.34 g/mol. Its IUPAC name is N-[(2-fluorophenyl)methyl]-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]acetamide.

Molecular Properties

Compound NameN-[(2-fluorophenyl)methyl]-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]acetamide
PubChem CID50971959
Molecular FormulaC15H19FN4O2
Molecular Weight306.34 g/mol
Exact Mass306.15
IUPAC NameN-[(2-fluorophenyl)methyl]-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]acetamide
SMILESCCC(NCC(=O)NCc1ccccc1F)c1nc(C)no1
InChIInChI=1S/C15H19FN4O2/c1-3-13(15-19-10(2)20-22-15)17-9-14(21)18-8-11-6-4-5-7-12(11)16/h4-7,13,17H,3,8-9H2,1-2H3,(H,18,21)
InChIKeyHIWQXHHQFKTAEB-UHFFFAOYSA-N
XLogP1.87
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2-fluorophenyl)methyl]-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]acetamide?
The IUPAC name of N-[(2-fluorophenyl)methyl]-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]acetamide (CID 50971959) is N-[(2-fluorophenyl)methyl]-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]acetamide.
What is the SMILES notation for N-[(2-fluorophenyl)methyl]-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]acetamide?
The canonical SMILES for N-[(2-fluorophenyl)methyl]-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]acetamide is CCC(NCC(=O)NCc1ccccc1F)c1nc(C)no1.
What is the InChIKey of N-[(2-fluorophenyl)methyl]-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]acetamide?
The InChIKey is HIWQXHHQFKTAEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O2/c1-3-13(15-19-10(2)20-22-15)17-9-14(21)18-8-11-6-4-5-7-12(11)16/h4-7,13,17H,3,8-9H2,1-2H3,(H,18,21).
What are the key properties of N-[(2-fluorophenyl)methyl]-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]acetamide?
N-[(2-fluorophenyl)methyl]-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]acetamide has a molecular weight of 306.34 g/mol, XLogP of 1.87, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-fluorophenyl)methyl]-2-[1-(3-methyl-1,2,4-oxadiazol-5-yl)propylamino]acetamide is sourced from PubChem (CID 50971959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).