1-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine

C13H14FN3O — CID 81274229

IUPAC1-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
SMILESCc1cc(F)ccc1-c1noc(C2(N)CCC2)n1
InChIInChI=1S/C13H14FN3O/c1-8-7-9(14)3-4-10(8)11-16-12(18-17-11)13(15)5-2-6-13/h3-4,7H,2,5-6,15H2,1H3
InChIKeyFEAFELMJSAFBQC-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.52
Rot. Bonds2

About 1-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine

1-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine (PubChem CID 81274229) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 1-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
PubChem CID81274229
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name1-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
SMILESCc1cc(F)ccc1-c1noc(C2(N)CCC2)n1
InChIInChI=1S/C13H14FN3O/c1-8-7-9(14)3-4-10(8)11-16-12(18-17-11)13(15)5-2-6-13/h3-4,7H,2,5-6,15H2,1H3
InChIKeyFEAFELMJSAFBQC-UHFFFAOYSA-N
XLogP2.52
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 62389084
1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-amine
CID 61291619
1-[3-(4-fluoro-3-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 61289707
3-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106743581
1-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 62716117
1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)cyclobutan-1-amine
CID 81165365
2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813512
1-[3-(3-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
CID 81161112
1-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine;hydrochloride
CID 119999976
1-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
CID 81162267
1-(3-naphthalen-1-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 62715874
2-[3-(5-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]-2-methylcyclopentan-1-amine
CID 82763318

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine?
The IUPAC name of 1-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine (CID 81274229) is 1-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine is Cc1cc(F)ccc1-c1noc(C2(N)CCC2)n1.
What is the InChIKey of 1-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine?
The InChIKey is FEAFELMJSAFBQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c1-8-7-9(14)3-4-10(8)11-16-12(18-17-11)13(15)5-2-6-13/h3-4,7H,2,5-6,15H2,1H3.
What are the key properties of 1-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine?
1-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine has a molecular weight of 247.27 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine is sourced from PubChem (CID 81274229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).