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

C13H13F2N3O — CID 81161653

IUPAC1-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
SMILESNC1(c2nc(Cc3ccc(F)cc3F)no2)CCC1
InChIInChI=1S/C13H13F2N3O/c14-9-3-2-8(10(15)7-9)6-11-17-12(19-18-11)13(16)4-1-5-13/h2-3,7H,1,4-6,16H2
InChIKeyXAVAZGNWCHTLKT-UHFFFAOYSA-N
MW265.26 g/mol
LogP2.28
Rot. Bonds3

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

1-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine (PubChem CID 81161653) has the molecular formula C13H13F2N3O and a molecular weight of 265.26 g/mol. Its IUPAC name is 1-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
PubChem CID81161653
Molecular FormulaC13H13F2N3O
Molecular Weight265.26 g/mol
Exact Mass265.10
IUPAC Name1-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
SMILESNC1(c2nc(Cc3ccc(F)cc3F)no2)CCC1
InChIInChI=1S/C13H13F2N3O/c14-9-3-2-8(10(15)7-9)6-11-17-12(19-18-11)13(16)4-1-5-13/h2-3,7H,1,4-6,16H2
InChIKeyXAVAZGNWCHTLKT-UHFFFAOYSA-N
XLogP2.28
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.26
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine?
The IUPAC name of 1-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine (CID 81161653) is 1-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine is NC1(c2nc(Cc3ccc(F)cc3F)no2)CCC1.
What is the InChIKey of 1-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine?
The InChIKey is XAVAZGNWCHTLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F2N3O/c14-9-3-2-8(10(15)7-9)6-11-17-12(19-18-11)13(16)4-1-5-13/h2-3,7H,1,4-6,16H2.
What are the key properties of 1-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine?
1-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine has a molecular weight of 265.26 g/mol, XLogP of 2.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[(2,4-difluorophenyl)methyl]-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine is sourced from PubChem (CID 81161653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).