1-(2-fluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-2-amine

C13H16FN3OS — CID 55053107

IUPAC1-(2-fluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-2-amine
SMILESCCC(N)C(Sc1nnc(C)o1)c1ccccc1F
InChIInChI=1S/C13H16FN3OS/c1-3-11(15)12(9-6-4-5-7-10(9)14)19-13-17-16-8(2)18-13/h4-7,11-12H,3,15H2,1-2H3
InChIKeyIWTJQCGDMHUOPC-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.09
Rot. Bonds5

About 1-(2-fluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-2-amine

1-(2-fluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-2-amine (PubChem CID 55053107) has the molecular formula C13H16FN3OS and a molecular weight of 281.36 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-2-amine.

Molecular Properties

Compound Name1-(2-fluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-2-amine
PubChem CID55053107
Molecular FormulaC13H16FN3OS
Molecular Weight281.36 g/mol
Exact Mass281.10
IUPAC Name1-(2-fluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-2-amine
SMILESCCC(N)C(Sc1nnc(C)o1)c1ccccc1F
InChIInChI=1S/C13H16FN3OS/c1-3-11(15)12(9-6-4-5-7-10(9)14)19-13-17-16-8(2)18-13/h4-7,11-12H,3,15H2,1-2H3
InChIKeyIWTJQCGDMHUOPC-UHFFFAOYSA-N
XLogP3.09
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-2-amine?
The IUPAC name of 1-(2-fluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-2-amine (CID 55053107) is 1-(2-fluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-2-amine.
What is the SMILES notation for 1-(2-fluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-2-amine?
The canonical SMILES for 1-(2-fluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-2-amine is CCC(N)C(Sc1nnc(C)o1)c1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-2-amine?
The InChIKey is IWTJQCGDMHUOPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3OS/c1-3-11(15)12(9-6-4-5-7-10(9)14)19-13-17-16-8(2)18-13/h4-7,11-12H,3,15H2,1-2H3.
What are the key properties of 1-(2-fluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-2-amine?
1-(2-fluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-2-amine has a molecular weight of 281.36 g/mol, XLogP of 3.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-1-[(5-methyl-1,3,4-oxadiazol-2-yl)sulfanyl]butan-2-amine is sourced from PubChem (CID 55053107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).