N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine

C22H19FN4O — CID 56671969

IUPACN-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
SMILESFc1ccc(-c2nc(CN(Cc3ccccn3)Cc3ccccn3)co2)cc1
InChIInChI=1S/C22H19FN4O/c23-18-9-7-17(8-10-18)22-26-21(16-28-22)15-27(13-19-5-1-3-11-24-19)14-20-6-2-4-12-25-20/h1-12,16H,13-15H2
InChIKeyXEDCSHRWAVYNIH-UHFFFAOYSA-N
MW374.42 g/mol
LogP4.47
Rot. Bonds7

About N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine

N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine (PubChem CID 56671969) has the molecular formula C22H19FN4O and a molecular weight of 374.42 g/mol. Its IUPAC name is N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine.

Molecular Properties

Compound NameN-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
PubChem CID56671969
Molecular FormulaC22H19FN4O
Molecular Weight374.42 g/mol
Exact Mass374.15
IUPAC NameN-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine
SMILESFc1ccc(-c2nc(CN(Cc3ccccn3)Cc3ccccn3)co2)cc1
InChIInChI=1S/C22H19FN4O/c23-18-9-7-17(8-10-18)22-26-21(16-28-22)15-27(13-19-5-1-3-11-24-19)14-20-6-2-4-12-25-20/h1-12,16H,13-15H2
InChIKeyXEDCSHRWAVYNIH-UHFFFAOYSA-N
XLogP4.47
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.42
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?
The IUPAC name of N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine (CID 56671969) is N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine.
What is the SMILES notation for N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?
The canonical SMILES for N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine is Fc1ccc(-c2nc(CN(Cc3ccccn3)Cc3ccccn3)co2)cc1.
What is the InChIKey of N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?
The InChIKey is XEDCSHRWAVYNIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19FN4O/c23-18-9-7-17(8-10-18)22-26-21(16-28-22)15-27(13-19-5-1-3-11-24-19)14-20-6-2-4-12-25-20/h1-12,16H,13-15H2.
What are the key properties of N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine?
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine has a molecular weight of 374.42 g/mol, XLogP of 4.47, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-1-pyridin-2-yl-N-(pyridin-2-ylmethyl)methanamine is sourced from PubChem (CID 56671969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).