1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine

C11H11F2N3O — CID 55101679

IUPAC1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCC(N)Cc1noc(-c2ccc(F)cc2F)n1
InChIInChI=1S/C11H11F2N3O/c1-6(14)4-10-15-11(17-16-10)8-3-2-7(12)5-9(8)13/h2-3,5-6H,4,14H2,1H3
InChIKeyIXUFPXOVCBKGCZ-UHFFFAOYSA-N
MW239.23 g/mol
LogP1.90
Rot. Bonds3

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

1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (PubChem CID 55101679) has the molecular formula C11H11F2N3O and a molecular weight of 239.23 g/mol. Its IUPAC name is 1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine.

Molecular Properties

Compound Name1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
PubChem CID55101679
Molecular FormulaC11H11F2N3O
Molecular Weight239.23 g/mol
Exact Mass239.09
IUPAC Name1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
SMILESCC(N)Cc1noc(-c2ccc(F)cc2F)n1
InChIInChI=1S/C11H11F2N3O/c1-6(14)4-10-15-11(17-16-10)8-3-2-7(12)5-9(8)13/h2-3,5-6H,4,14H2,1H3
InChIKeyIXUFPXOVCBKGCZ-UHFFFAOYSA-N
XLogP1.90
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.23
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 62651230
1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanamine
CID 61324177
1-[5-(2,3-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 62660245
1-[5-(3,4,5-trifluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 63190077
1-[5-(2-bromo-4-fluorophenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 62645547
1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 102660677
3-(1-chloroethyl)-5-(2,4-difluorophenyl)-1,2,4-oxadiazole
CID 102661245
1-[5-(2,5-difluoro-3-nitrophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 107122762
1-[5-[2-(trifluoromethyl)phenyl]-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 62653408
5-[3-(2-aminopropyl)-1,2,4-oxadiazol-5-yl]-2-methyl-1H-pyridin-4-one
CID 136812636
1-[5-(2,4,6-trifluorophenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 65100845
1-[5-(5-bromofuran-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 62651224

Frequently Asked Questions

What is the IUPAC name of 1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The IUPAC name of 1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine (CID 55101679) is 1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine.
What is the SMILES notation for 1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The canonical SMILES for 1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine is CC(N)Cc1noc(-c2ccc(F)cc2F)n1.
What is the InChIKey of 1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
The InChIKey is IXUFPXOVCBKGCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F2N3O/c1-6(14)4-10-15-11(17-16-10)8-3-2-7(12)5-9(8)13/h2-3,5-6H,4,14H2,1H3.
What are the key properties of 1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine?
1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine has a molecular weight of 239.23 g/mol, XLogP of 1.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(2,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine is sourced from PubChem (CID 55101679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).