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

C14H17F2N3O2 — CID 104637159

IUPAC2-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
SMILESCC(C)OCC(C)(N)c1noc(-c2ccc(F)c(F)c2)n1
InChIInChI=1S/C14H17F2N3O2/c1-8(2)20-7-14(3,17)13-18-12(21-19-13)9-4-5-10(15)11(16)6-9/h4-6,8H,7,17H2,1-3H3
InChIKeyBJWKRGXFOZNPAL-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.61
Rot. Bonds5

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

2-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine (PubChem CID 104637159) has the molecular formula C14H17F2N3O2 and a molecular weight of 297.31 g/mol. Its IUPAC name is 2-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine.

Molecular Properties

Compound Name2-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
PubChem CID104637159
Molecular FormulaC14H17F2N3O2
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name2-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
SMILESCC(C)OCC(C)(N)c1noc(-c2ccc(F)c(F)c2)n1
InChIInChI=1S/C14H17F2N3O2/c1-8(2)20-7-14(3,17)13-18-12(21-19-13)9-4-5-10(15)11(16)6-9/h4-6,8H,7,17H2,1-3H3
InChIKeyBJWKRGXFOZNPAL-UHFFFAOYSA-N
XLogP2.61
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[5-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637248
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
2-[5-(2-chloro-3-fluorophenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637405
1-propan-2-yloxy-2-[5-(1H-pyrazol-4-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 136964381
1-ethoxy-2-[5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 104636768
1-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-2-propan-2-yloxyethanamine
CID 104634511
2-[5-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-3-yl]-1-propoxypropan-2-amine
CID 104637043
2-[5-(4-bromo-2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine
CID 104637389
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

Frequently Asked Questions

What is the IUPAC name of 2-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine?
The IUPAC name of 2-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine (CID 104637159) is 2-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine.
What is the SMILES notation for 2-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine?
The canonical SMILES for 2-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine is CC(C)OCC(C)(N)c1noc(-c2ccc(F)c(F)c2)n1.
What is the InChIKey of 2-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine?
The InChIKey is BJWKRGXFOZNPAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O2/c1-8(2)20-7-14(3,17)13-18-12(21-19-13)9-4-5-10(15)11(16)6-9/h4-6,8H,7,17H2,1-3H3.
What are the key properties of 2-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine?
2-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine has a molecular weight of 297.31 g/mol, XLogP of 2.61, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(3,4-difluorophenyl)-1,2,4-oxadiazol-3-yl]-1-propan-2-yloxypropan-2-amine is sourced from PubChem (CID 104637159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).