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

C13H16FN3O — CID 61354499

IUPAC2-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]butan-2-amine
SMILESCCC(C)(N)c1noc(Cc2ccc(F)cc2)n1
InChIInChI=1S/C13H16FN3O/c1-3-13(2,15)12-16-11(18-17-12)8-9-4-6-10(14)7-5-9/h4-7H,3,8,15H2,1-2H3
InChIKeySCFDUCSOYGMKBZ-UHFFFAOYSA-N
MW249.29 g/mol
LogP2.38
Rot. Bonds4

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

2-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]butan-2-amine (PubChem CID 61354499) has the molecular formula C13H16FN3O and a molecular weight of 249.29 g/mol. Its IUPAC name is 2-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]butan-2-amine.

Molecular Properties

Compound Name2-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]butan-2-amine
PubChem CID61354499
Molecular FormulaC13H16FN3O
Molecular Weight249.29 g/mol
Exact Mass249.13
IUPAC Name2-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]butan-2-amine
SMILESCCC(C)(N)c1noc(Cc2ccc(F)cc2)n1
InChIInChI=1S/C13H16FN3O/c1-3-13(2,15)12-16-11(18-17-12)8-9-4-6-10(14)7-5-9/h4-7H,3,8,15H2,1-2H3
InChIKeySCFDUCSOYGMKBZ-UHFFFAOYSA-N
XLogP2.38
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-(2,2-dimethylpropyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 61354500
2-[5-[(3,4-difluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]-1-ethoxypropan-2-amine
CID 104636637
1-[3-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 64670656
2-[5-(2,5-difluorophenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 61326714
2-[5-(5-fluoro-2-pyridinyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 104639525
[3-[2-(4-fluorophenyl)propan-2-yl]-1,2,4-oxadiazol-5-yl]methanamine
CID 64759373
2-[5-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 113400116
2-[5-[2-(furan-2-yl)ethyl]-1,2,4-oxadiazol-3-yl]butan-2-amine
CID 61324061
N-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-ethyl-4-fluoroaniline;hydrochloride
CID 119929750
3-[5-[(3-methylphenyl)methyl]-1,2,4-oxadiazol-3-yl]pentan-3-amine
CID 55067619
4-[(3-tert-butyl-1,2,4-oxadiazol-5-yl)methyl]benzonitrile
CID 113233887
N-[[3-(2-aminopropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-fluoro-N-methylaniline;hydrochloride
CID 119930479

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]butan-2-amine?
The IUPAC name of 2-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]butan-2-amine (CID 61354499) is 2-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]butan-2-amine.
What is the SMILES notation for 2-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]butan-2-amine?
The canonical SMILES for 2-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]butan-2-amine is CCC(C)(N)c1noc(Cc2ccc(F)cc2)n1.
What is the InChIKey of 2-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]butan-2-amine?
The InChIKey is SCFDUCSOYGMKBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16FN3O/c1-3-13(2,15)12-16-11(18-17-12)8-9-4-6-10(14)7-5-9/h4-7H,3,8,15H2,1-2H3.
What are the key properties of 2-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]butan-2-amine?
2-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]butan-2-amine has a molecular weight of 249.29 g/mol, XLogP of 2.38, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(4-fluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]butan-2-amine is sourced from PubChem (CID 61354499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).