1-[3,5-difluoro-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-amine

C14H17F2N3O2 — CID 79882796

IUPAC1-[3,5-difluoro-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(F)c(OCc2nc(C)no2)c(F)c1
InChIInChI=1S/C14H17F2N3O2/c1-3-10(17)4-9-5-11(15)14(12(16)6-9)20-7-13-18-8(2)19-21-13/h5-6,10H,3-4,7,17H2,1-2H3
InChIKeyGKKVAESYGSGPIR-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.52
Rot. Bonds6

About 1-[3,5-difluoro-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-amine

1-[3,5-difluoro-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-amine (PubChem CID 79882796) has the molecular formula C14H17F2N3O2 and a molecular weight of 297.31 g/mol. Its IUPAC name is 1-[3,5-difluoro-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3,5-difluoro-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-amine
PubChem CID79882796
Molecular FormulaC14H17F2N3O2
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC Name1-[3,5-difluoro-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(F)c(OCc2nc(C)no2)c(F)c1
InChIInChI=1S/C14H17F2N3O2/c1-3-10(17)4-9-5-11(15)14(12(16)6-9)20-7-13-18-8(2)19-21-13/h5-6,10H,3-4,7,17H2,1-2H3
InChIKeyGKKVAESYGSGPIR-UHFFFAOYSA-N
XLogP2.52
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[3,5-difluoro-4-[(5-methyl-1,2-oxazol-3-yl)methoxy]phenyl]butan-2-amine
CID 79882774
1-[3,5-difluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]butan-2-amine
CID 79888395
1-[4-[(4-bromothiophen-2-yl)methoxy]-3,5-difluorophenyl]butan-2-amine
CID 79882803
1-[4-(3-chloroprop-2-enoxy)-3,5-difluorophenyl]butan-2-amine
CID 79887693
1-[3,5-difluoro-4-(pyridin-3-ylmethoxy)phenyl]butan-2-amine
CID 79882772
1-[3,5-difluoro-4-(2-methoxyethoxy)phenyl]butan-2-amine
CID 79888080
1-[4-(2-ethoxyethoxy)-3,5-difluorophenyl]butan-2-amine
CID 79887772
1-(4-but-2-ynoxy-3,5-difluorophenyl)butan-2-amine
CID 79887773
1-(4-butan-2-yloxy-3,5-difluorophenyl)butan-2-amine
CID 79887538
1-(3-chloro-4-ethoxy-5-fluorophenyl)butan-2-amine
CID 170890061
N-[[4-[(3-ethyl-1,2,4-oxadiazol-5-yl)methoxy]-3,5-difluorophenyl]methyl]ethanamine
CID 79882467
1-[3,5-difluoro-4-(3-methylsulfonylpropoxy)phenyl]butan-2-amine
CID 79882804

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-difluoro-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-amine?
The IUPAC name of 1-[3,5-difluoro-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-amine (CID 79882796) is 1-[3,5-difluoro-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-amine.
What is the SMILES notation for 1-[3,5-difluoro-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-amine?
The canonical SMILES for 1-[3,5-difluoro-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-amine is CCC(N)Cc1cc(F)c(OCc2nc(C)no2)c(F)c1.
What is the InChIKey of 1-[3,5-difluoro-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-amine?
The InChIKey is GKKVAESYGSGPIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O2/c1-3-10(17)4-9-5-11(15)14(12(16)6-9)20-7-13-18-8(2)19-21-13/h5-6,10H,3-4,7,17H2,1-2H3.
What are the key properties of 1-[3,5-difluoro-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-amine?
1-[3,5-difluoro-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-amine has a molecular weight of 297.31 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3,5-difluoro-4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-amine is sourced from PubChem (CID 79882796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).