2-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine

C15H20FN3O2 — CID 104637248

IUPAC2-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
SMILESCc1ccc(-c2nc(C(C)(N)COC(C)C)no2)cc1F
InChIInChI=1S/C15H20FN3O2/c1-9(2)20-8-15(4,17)14-18-13(21-19-14)11-6-5-10(3)12(16)7-11/h5-7,9H,8,17H2,1-4H3
InChIKeyDBAGDRSFBMUJFH-UHFFFAOYSA-N
MW293.34 g/mol
LogP2.78
Rot. Bonds5

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

2-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine (PubChem CID 104637248) has the molecular formula C15H20FN3O2 and a molecular weight of 293.34 g/mol. Its IUPAC name is 2-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine.

Molecular Properties

Compound Name2-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
PubChem CID104637248
Molecular FormulaC15H20FN3O2
Molecular Weight293.34 g/mol
Exact Mass293.15
IUPAC Name2-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
SMILESCc1ccc(-c2nc(C(C)(N)COC(C)C)no2)cc1F
InChIInChI=1S/C15H20FN3O2/c1-9(2)20-8-15(4,17)14-18-13(21-19-14)11-6-5-10(3)12(16)7-11/h5-7,9H,8,17H2,1-4H3
InChIKeyDBAGDRSFBMUJFH-UHFFFAOYSA-N
XLogP2.78
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637159
2-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637323
2-[5-(3-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637351
1-ethoxy-2-[5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636768
2-[5-(2-chloro-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637405
2-[5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
CID 104637043
1-propan-2-yloxy-2-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 136964381
2-[5-(2-methyl-3-pyridinyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637304
2-[5-(2,5-dimethylfuran-3-yl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637349
2-[5-(3-bromo-2-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637401
2-[5-(4-bromo-2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637389
2-(5-methyl-1,2,4-oxadiazol-3-yl)-1-propan-2-yloxypropan-2-amine
CID 104637170

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine?
The IUPAC name of 2-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine (CID 104637248) is 2-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine.
What is the SMILES notation for 2-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine?
The canonical SMILES for 2-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine is Cc1ccc(-c2nc(C(C)(N)COC(C)C)no2)cc1F.
What is the InChIKey of 2-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine?
The InChIKey is DBAGDRSFBMUJFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FN3O2/c1-9(2)20-8-15(4,17)14-18-13(21-19-14)11-6-5-10(3)12(16)7-11/h5-7,9H,8,17H2,1-4H3.
What are the key properties of 2-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine?
2-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine has a molecular weight of 293.34 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine is sourced from PubChem (CID 104637248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).