N-[(2,5-dimethoxyphenyl)methyl]-1-(2-fluorophenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine

C24H22FN3O3 — CID 20944451

IUPACN-[(2,5-dimethoxyphenyl)methyl]-1-(2-fluorophenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine
SMILESCOc1ccc(OC)c(CNC(c2nnc(-c3ccccc3)o2)c2ccccc2F)c1
InChIInChI=1S/C24H22FN3O3/c1-29-18-12-13-21(30-2)17(14-18)15-26-22(19-10-6-7-11-20(19)25)24-28-27-23(31-24)16-8-4-3-5-9-16/h3-14,22,26H,15H2,1-2H3
InChIKeyGVGXUQQOHXIXEO-UHFFFAOYSA-N
MW419.46 g/mol
LogP4.77
Rot. Bonds8

About N-[(2,5-dimethoxyphenyl)methyl]-1-(2-fluorophenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine

N-[(2,5-dimethoxyphenyl)methyl]-1-(2-fluorophenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine (PubChem CID 20944451) has the molecular formula C24H22FN3O3 and a molecular weight of 419.46 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-1-(2-fluorophenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-1-(2-fluorophenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine
PubChem CID20944451
Molecular FormulaC24H22FN3O3
Molecular Weight419.46 g/mol
Exact Mass419.16
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-1-(2-fluorophenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine
SMILESCOc1ccc(OC)c(CNC(c2nnc(-c3ccccc3)o2)c2ccccc2F)c1
InChIInChI=1S/C24H22FN3O3/c1-29-18-12-13-21(30-2)17(14-18)15-26-22(19-10-6-7-11-20(19)25)24-28-27-23(31-24)16-8-4-3-5-9-16/h3-14,22,26H,15H2,1-2H3
InChIKeyGVGXUQQOHXIXEO-UHFFFAOYSA-N
XLogP4.77
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.46
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-1-(2-fluorophenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-1-(2-fluorophenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine (CID 20944451) is N-[(2,5-dimethoxyphenyl)methyl]-1-(2-fluorophenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-1-(2-fluorophenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-1-(2-fluorophenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine is COc1ccc(OC)c(CNC(c2nnc(-c3ccccc3)o2)c2ccccc2F)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-1-(2-fluorophenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine?
The InChIKey is GVGXUQQOHXIXEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O3/c1-29-18-12-13-21(30-2)17(14-18)15-26-22(19-10-6-7-11-20(19)25)24-28-27-23(31-24)16-8-4-3-5-9-16/h3-14,22,26H,15H2,1-2H3.
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-1-(2-fluorophenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine?
N-[(2,5-dimethoxyphenyl)methyl]-1-(2-fluorophenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine has a molecular weight of 419.46 g/mol, XLogP of 4.77, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-1-(2-fluorophenyl)-1-(5-phenyl-1,3,4-oxadiazol-2-yl)methanamine is sourced from PubChem (CID 20944451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).