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

C14H15F2N3O — CID 79846485

IUPAC1-[[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
SMILESNC1(Cc2nc(Cc3cc(F)cc(F)c3)no2)CCC1
InChIInChI=1S/C14H15F2N3O/c15-10-4-9(5-11(16)7-10)6-12-18-13(20-19-12)8-14(17)2-1-3-14/h4-5,7H,1-3,6,8,17H2
InChIKeyUDIFAIYKFGWURD-UHFFFAOYSA-N
MW279.29 g/mol
LogP2.36
Rot. Bonds4

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

1-[[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine (PubChem CID 79846485) has the molecular formula C14H15F2N3O and a molecular weight of 279.29 g/mol. Its IUPAC name is 1-[[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
PubChem CID79846485
Molecular FormulaC14H15F2N3O
Molecular Weight279.29 g/mol
Exact Mass279.12
IUPAC Name1-[[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
SMILESNC1(Cc2nc(Cc3cc(F)cc(F)c3)no2)CCC1
InChIInChI=1S/C14H15F2N3O/c15-10-4-9(5-11(16)7-10)6-12-18-13(20-19-12)8-14(17)2-1-3-14/h4-5,7H,1-3,6,8,17H2
InChIKeyUDIFAIYKFGWURD-UHFFFAOYSA-N
XLogP2.36
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.29
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine with MolForge

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Related Compounds

1-[[3-[(3,5-dimethylphenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine
CID 64672446
1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]cyclobutan-1-amine
CID 79845957
1-[[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine
CID 64671485
1-[[3-[(3,4-dichlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine
CID 64671857
1-[[3-[(3-bromophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 64672428
2-[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 54959365
1-[[3-[(2-fluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclopentan-1-amine
CID 64671461
1-[[3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 79846373
1-[[3-[(3-fluorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine
CID 79845770
1-cyclopropyl-N-[[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]methanamine
CID 61496275
1-[[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 64672821
1-[[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 113291056

Frequently Asked Questions

What is the IUPAC name of 1-[[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine?
The IUPAC name of 1-[[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine (CID 79846485) is 1-[[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine.
What is the SMILES notation for 1-[[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine?
The canonical SMILES for 1-[[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine is NC1(Cc2nc(Cc3cc(F)cc(F)c3)no2)CCC1.
What is the InChIKey of 1-[[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine?
The InChIKey is UDIFAIYKFGWURD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F2N3O/c15-10-4-9(5-11(16)7-10)6-12-18-13(20-19-12)8-14(17)2-1-3-14/h4-5,7H,1-3,6,8,17H2.
What are the key properties of 1-[[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine?
1-[[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine has a molecular weight of 279.29 g/mol, XLogP of 2.36, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-[(3,5-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclobutan-1-amine is sourced from PubChem (CID 79846485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).