N-[[3,5-difluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]propan-2-amine

C13H15F2N3O2 — CID 79892023

IUPACN-[[3,5-difluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(F)c(OCc2ncon2)c(F)c1
InChIInChI=1S/C13H15F2N3O2/c1-8(2)16-5-9-3-10(14)13(11(15)4-9)19-6-12-17-7-20-18-12/h3-4,7-8,16H,5-6H2,1-2H3
InChIKeyUDMNMANJCWEFKX-UHFFFAOYSA-N
MW283.28 g/mol
LogP2.42
Rot. Bonds6

About N-[[3,5-difluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]propan-2-amine

N-[[3,5-difluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]propan-2-amine (PubChem CID 79892023) has the molecular formula C13H15F2N3O2 and a molecular weight of 283.28 g/mol. Its IUPAC name is N-[[3,5-difluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]propan-2-amine.

Molecular Properties

Compound NameN-[[3,5-difluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]propan-2-amine
PubChem CID79892023
Molecular FormulaC13H15F2N3O2
Molecular Weight283.28 g/mol
Exact Mass283.11
IUPAC NameN-[[3,5-difluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]propan-2-amine
SMILESCC(C)NCc1cc(F)c(OCc2ncon2)c(F)c1
InChIInChI=1S/C13H15F2N3O2/c1-8(2)16-5-9-3-10(14)13(11(15)4-9)19-6-12-17-7-20-18-12/h3-4,7-8,16H,5-6H2,1-2H3
InChIKeyUDMNMANJCWEFKX-UHFFFAOYSA-N
XLogP2.42
TPSA60.18 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 ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3,5-difluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]butan-2-amine
CID 79888395
N-[[3,5-difluoro-4-[(2-methyl-1,2,4-triazol-3-yl)methoxy]phenyl]methyl]propan-2-amine
CID 79883132
4-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenoxy]butan-1-ol
CID 79891366
5-[2,6-difluoro-4-[(propan-2-ylamino)methyl]phenoxy]pentan-1-ol
CID 79892333
N-[[3,5-difluoro-4-(3-methylbut-2-enoxy)phenyl]methyl]propan-2-amine
CID 79891870
N-[[3-fluoro-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]-2-methylpropan-1-amine
CID 115955286
N-[(3,5-difluoro-4-pent-4-enoxyphenyl)methyl]propan-2-amine
CID 79892106
1-[2-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]-N-methylethanamine
CID 107716494
N-[[3-(1,2,4-oxadiazol-3-ylmethylsulfanyl)phenyl]methyl]propan-2-amine
CID 66347106
N-[[3,5-difluoro-4-(2-imidazol-1-ylethoxy)phenyl]methyl]propan-2-amine
CID 79883268
[3-fluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methanamine
CID 107686259
N-[[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3,5-difluorophenyl]methyl]ethanamine
CID 79882467

Frequently Asked Questions

What is the IUPAC name of N-[[3,5-difluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]propan-2-amine?
The IUPAC name of N-[[3,5-difluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]propan-2-amine (CID 79892023) is N-[[3,5-difluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]propan-2-amine.
What is the SMILES notation for N-[[3,5-difluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]propan-2-amine?
The canonical SMILES for N-[[3,5-difluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]propan-2-amine is CC(C)NCc1cc(F)c(OCc2ncon2)c(F)c1.
What is the InChIKey of N-[[3,5-difluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]propan-2-amine?
The InChIKey is UDMNMANJCWEFKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O2/c1-8(2)16-5-9-3-10(14)13(11(15)4-9)19-6-12-17-7-20-18-12/h3-4,7-8,16H,5-6H2,1-2H3.
What are the key properties of N-[[3,5-difluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]propan-2-amine?
N-[[3,5-difluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]propan-2-amine has a molecular weight of 283.28 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3,5-difluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]propan-2-amine is sourced from PubChem (CID 79892023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).