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

C13H15F2N3O2 — CID 79888395

IUPAC1-[3,5-difluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(F)c(OCc2ncon2)c(F)c1
InChIInChI=1S/C13H15F2N3O2/c1-2-9(16)3-8-4-10(14)13(11(15)5-8)19-6-12-17-7-20-18-12/h4-5,7,9H,2-3,6,16H2,1H3
InChIKeyQHTUGCBOVZCVQM-UHFFFAOYSA-N
MW283.28 g/mol
LogP2.21
Rot. Bonds6

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

1-[3,5-difluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]butan-2-amine (PubChem CID 79888395) has the molecular formula C13H15F2N3O2 and a molecular weight of 283.28 g/mol. Its IUPAC name is 1-[3,5-difluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]butan-2-amine.

Molecular Properties

Compound Name1-[3,5-difluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]butan-2-amine
PubChem CID79888395
Molecular FormulaC13H15F2N3O2
Molecular Weight283.28 g/mol
Exact Mass283.11
IUPAC Name1-[3,5-difluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]butan-2-amine
SMILESCCC(N)Cc1cc(F)c(OCc2ncon2)c(F)c1
InChIInChI=1S/C13H15F2N3O2/c1-2-9(16)3-8-4-10(14)13(11(15)5-8)19-6-12-17-7-20-18-12/h4-5,7,9H,2-3,6,16H2,1H3
InChIKeyQHTUGCBOVZCVQM-UHFFFAOYSA-N
XLogP2.21
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 ≤ 52.21
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-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]butan-2-amine
CID 79882796
N-[[3,5-difluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]methyl]propan-2-amine
CID 79892023
1-[3-ethoxy-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]butan-2-amine
CID 60906666
1-[3-bromo-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]butan-2-amine
CID 63050827
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

Frequently Asked Questions

What is the IUPAC name of 1-[3,5-difluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]butan-2-amine?
The IUPAC name of 1-[3,5-difluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]butan-2-amine (CID 79888395) is 1-[3,5-difluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]butan-2-amine.
What is the SMILES notation for 1-[3,5-difluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]butan-2-amine?
The canonical SMILES for 1-[3,5-difluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]butan-2-amine is CCC(N)Cc1cc(F)c(OCc2ncon2)c(F)c1.
What is the InChIKey of 1-[3,5-difluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]butan-2-amine?
The InChIKey is QHTUGCBOVZCVQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O2/c1-2-9(16)3-8-4-10(14)13(11(15)5-8)19-6-12-17-7-20-18-12/h4-5,7,9H,2-3,6,16H2,1H3.
What are the key properties of 1-[3,5-difluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]butan-2-amine?
1-[3,5-difluoro-4-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]butan-2-amine has a molecular weight of 283.28 g/mol, XLogP of 2.21, 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-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]butan-2-amine is sourced from PubChem (CID 79888395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).