1-[5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine

C13H14FN3O — CID 120861786

IUPAC1-[5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESNC1(c2noc(Cc3cccc(F)c3)n2)CCC1
InChIInChI=1S/C13H14FN3O/c14-10-4-1-3-9(7-10)8-11-16-12(17-18-11)13(15)5-2-6-13/h1,3-4,7H,2,5-6,8,15H2
InChIKeyOVIINWPILOEYKK-UHFFFAOYSA-N
MW247.27 g/mol
LogP2.14
Rot. Bonds3

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

1-[5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (PubChem CID 120861786) has the molecular formula C13H14FN3O and a molecular weight of 247.27 g/mol. Its IUPAC name is 1-[5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
PubChem CID120861786
Molecular FormulaC13H14FN3O
Molecular Weight247.27 g/mol
Exact Mass247.11
IUPAC Name1-[5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
SMILESNC1(c2noc(Cc3cccc(F)c3)n2)CCC1
InChIInChI=1S/C13H14FN3O/c14-10-4-1-3-9(7-10)8-11-16-12(17-18-11)13(15)5-2-6-13/h1,3-4,7H,2,5-6,8,15H2
InChIKeyOVIINWPILOEYKK-UHFFFAOYSA-N
XLogP2.14
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.27
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[5-[(3,4-difluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120860856
1-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120858568
1-[5-[[3-(trifluoromethyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120852897
1-[5-[(3-methoxyphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclohexan-1-amine
CID 61353308
1-[5-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120864155
1-[5-[[3-[(3-chlorophenyl)methoxy]phenyl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120862308
1-[5-[2-(3-fluorophenyl)propyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine;hydrochloride
CID 120856429
1-[5-[2-(4-fluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine
CID 120859276
1-[5-[(4-phenylphenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclopentan-1-amine
CID 120856620
1-[5-[(4-chlorophenyl)methyl]-1,2,4-oxadiazol-3-yl]cycloheptan-1-amine
CID 61352533
1-[5-[[4-(difluoromethylsulfonyl)phenyl]methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859147
1-[5-[2-(2,3-difluorophenyl)ethyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine;hydrochloride
CID 120859819

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The IUPAC name of 1-[5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine (CID 120861786) is 1-[5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is NC1(c2noc(Cc3cccc(F)c3)n2)CCC1.
What is the InChIKey of 1-[5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
The InChIKey is OVIINWPILOEYKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14FN3O/c14-10-4-1-3-9(7-10)8-11-16-12(17-18-11)13(15)5-2-6-13/h1,3-4,7H,2,5-6,8,15H2.
What are the key properties of 1-[5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine?
1-[5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine has a molecular weight of 247.27 g/mol, XLogP of 2.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]cyclobutan-1-amine is sourced from PubChem (CID 120861786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).