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

C13H15F2N3O2 — CID 62478079

IUPAC1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxypropan-1-amine
SMILESCOCCC(N)c1nc(Cc2cc(F)cc(F)c2)no1
InChIInChI=1S/C13H15F2N3O2/c1-19-3-2-11(16)13-17-12(18-20-13)6-8-4-9(14)7-10(15)5-8/h4-5,7,11H,2-3,6,16H2,1H3
InChIKeyWNUUKJYMMYYJAE-UHFFFAOYSA-N
MW283.28 g/mol
LogP1.97
Rot. Bonds6

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

1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxypropan-1-amine (PubChem CID 62478079) has the molecular formula C13H15F2N3O2 and a molecular weight of 283.28 g/mol. Its IUPAC name is 1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxypropan-1-amine.

Molecular Properties

Compound Name1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxypropan-1-amine
PubChem CID62478079
Molecular FormulaC13H15F2N3O2
Molecular Weight283.28 g/mol
Exact Mass283.11
IUPAC Name1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxypropan-1-amine
SMILESCOCCC(N)c1nc(Cc2cc(F)cc(F)c2)no1
InChIInChI=1S/C13H15F2N3O2/c1-19-3-2-11(16)13-17-12(18-20-13)6-8-4-9(14)7-10(15)5-8/h4-5,7,11H,2-3,6,16H2,1H3
InChIKeyWNUUKJYMMYYJAE-UHFFFAOYSA-N
XLogP1.97
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.28
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxypropan-1-amine?
The IUPAC name of 1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxypropan-1-amine (CID 62478079) is 1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxypropan-1-amine.
What is the SMILES notation for 1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxypropan-1-amine?
The canonical SMILES for 1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxypropan-1-amine is COCCC(N)c1nc(Cc2cc(F)cc(F)c2)no1.
What is the InChIKey of 1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxypropan-1-amine?
The InChIKey is WNUUKJYMMYYJAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O2/c1-19-3-2-11(16)13-17-12(18-20-13)6-8-4-9(14)7-10(15)5-8/h4-5,7,11H,2-3,6,16H2,1H3.
What are the key properties of 1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxypropan-1-amine?
1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxypropan-1-amine has a molecular weight of 283.28 g/mol, XLogP of 1.97, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-3-methoxypropan-1-amine is sourced from PubChem (CID 62478079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).