N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine

C14H14F2N6O — CID 56701526

IUPACN-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
SMILESCC(Cn1cncn1)NCc1noc(-c2c(F)cccc2F)n1
InChIInChI=1S/C14H14F2N6O/c1-9(6-22-8-17-7-19-22)18-5-12-20-14(23-21-12)13-10(15)3-2-4-11(13)16/h2-4,7-9,18H,5-6H2,1H3
InChIKeyBXFLSJZOLRBTRA-UHFFFAOYSA-N
MW320.30 g/mol
LogP1.78
Rot. Bonds6

About N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine

N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine (PubChem CID 56701526) has the molecular formula C14H14F2N6O and a molecular weight of 320.30 g/mol. Its IUPAC name is N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine.

Molecular Properties

Compound NameN-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
PubChem CID56701526
Molecular FormulaC14H14F2N6O
Molecular Weight320.30 g/mol
Exact Mass320.12
IUPAC NameN-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine
SMILESCC(Cn1cncn1)NCc1noc(-c2c(F)cccc2F)n1
InChIInChI=1S/C14H14F2N6O/c1-9(6-22-8-17-7-19-22)18-5-12-20-14(23-21-12)13-10(15)3-2-4-11(13)16/h2-4,7-9,18H,5-6H2,1H3
InChIKeyBXFLSJZOLRBTRA-UHFFFAOYSA-N
XLogP1.78
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?
The IUPAC name of N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine (CID 56701526) is N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine.
What is the SMILES notation for N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?
The canonical SMILES for N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine is CC(Cn1cncn1)NCc1noc(-c2c(F)cccc2F)n1.
What is the InChIKey of N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?
The InChIKey is BXFLSJZOLRBTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N6O/c1-9(6-22-8-17-7-19-22)18-5-12-20-14(23-21-12)13-10(15)3-2-4-11(13)16/h2-4,7-9,18H,5-6H2,1H3.
What are the key properties of N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine?
N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine has a molecular weight of 320.30 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,6-difluorophenyl)-1,2,4-oxadiazol-3-yl]methyl]-1-(1,2,4-triazol-1-yl)propan-2-amine is sourced from PubChem (CID 56701526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).