3-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine

C13H15F2N3O — CID 61324868

IUPAC3-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
SMILESCCC(N)(CC)c1noc(-c2c(F)cccc2F)n1
InChIInChI=1S/C13H15F2N3O/c1-3-13(16,4-2)12-17-11(19-18-12)10-8(14)6-5-7-9(10)15/h5-7H,3-4,16H2,1-2H3
InChIKeyTUJWEUVAMNXXIB-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.99
Rot. Bonds4

About 3-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine

3-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine (PubChem CID 61324868) has the molecular formula C13H15F2N3O and a molecular weight of 267.28 g/mol. Its IUPAC name is 3-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine.

Molecular Properties

Compound Name3-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
PubChem CID61324868
Molecular FormulaC13H15F2N3O
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name3-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine
SMILESCCC(N)(CC)c1noc(-c2c(F)cccc2F)n1
InChIInChI=1S/C13H15F2N3O/c1-3-13(16,4-2)12-17-11(19-18-12)10-8(14)6-5-7-9(10)15/h5-7H,3-4,16H2,1-2H3
InChIKeyTUJWEUVAMNXXIB-UHFFFAOYSA-N
XLogP2.99
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
The IUPAC name of 3-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine (CID 61324868) is 3-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine.
What is the SMILES notation for 3-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
The canonical SMILES for 3-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine is CCC(N)(CC)c1noc(-c2c(F)cccc2F)n1.
What is the InChIKey of 3-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
The InChIKey is TUJWEUVAMNXXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N3O/c1-3-13(16,4-2)12-17-11(19-18-12)10-8(14)6-5-7-9(10)15/h5-7H,3-4,16H2,1-2H3.
What are the key properties of 3-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine?
3-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine has a molecular weight of 267.28 g/mol, XLogP of 2.99, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]pentan-3-amine is sourced from PubChem (CID 61324868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).