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

C15H19FN4O2 — CID 167782328

IUPAC2-amino-N-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NCc1noc(-c2cccc(F)c2)n1
InChIInChI=1S/C15H19FN4O2/c1-3-7-15(2,17)14(21)18-9-12-19-13(22-20-12)10-5-4-6-11(16)8-10/h4-6,8H,3,7,9,17H2,1-2H3,(H,18,21)
InChIKeyPJKWTTRJLHWCKY-UHFFFAOYSA-N
MW306.34 g/mol
LogP2.01
Rot. Bonds6

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

2-amino-N-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylpentanamide (PubChem CID 167782328) has the molecular formula C15H19FN4O2 and a molecular weight of 306.34 g/mol. Its IUPAC name is 2-amino-N-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylpentanamide.

Molecular Properties

Compound Name2-amino-N-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylpentanamide
PubChem CID167782328
Molecular FormulaC15H19FN4O2
Molecular Weight306.34 g/mol
Exact Mass306.15
IUPAC Name2-amino-N-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylpentanamide
SMILESCCCC(C)(N)C(=O)NCc1noc(-c2cccc(F)c2)n1
InChIInChI=1S/C15H19FN4O2/c1-3-7-15(2,17)14(21)18-9-12-19-13(22-20-12)10-5-4-6-11(16)8-10/h4-6,8H,3,7,9,17H2,1-2H3,(H,18,21)
InChIKeyPJKWTTRJLHWCKY-UHFFFAOYSA-N
XLogP2.01
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.34
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylpentanamide?
The IUPAC name of 2-amino-N-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylpentanamide (CID 167782328) is 2-amino-N-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylpentanamide.
What is the SMILES notation for 2-amino-N-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylpentanamide?
The canonical SMILES for 2-amino-N-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylpentanamide is CCCC(C)(N)C(=O)NCc1noc(-c2cccc(F)c2)n1.
What is the InChIKey of 2-amino-N-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylpentanamide?
The InChIKey is PJKWTTRJLHWCKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19FN4O2/c1-3-7-15(2,17)14(21)18-9-12-19-13(22-20-12)10-5-4-6-11(16)8-10/h4-6,8H,3,7,9,17H2,1-2H3,(H,18,21).
What are the key properties of 2-amino-N-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylpentanamide?
2-amino-N-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylpentanamide has a molecular weight of 306.34 g/mol, XLogP of 2.01, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-2-methylpentanamide is sourced from PubChem (CID 167782328), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).