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

C17H16FN3O — CID 56665148

IUPACN-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methyl-1-pyridin-3-ylmethanamine
SMILESCN(Cc1cccnc1)Cc1coc(-c2cccc(F)c2)n1
InChIInChI=1S/C17H16FN3O/c1-21(10-13-4-3-7-19-9-13)11-16-12-22-17(20-16)14-5-2-6-15(18)8-14/h2-9,12H,10-11H2,1H3
InChIKeyVBCURSBTRXHESV-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.51
Rot. Bonds5

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

N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methyl-1-pyridin-3-ylmethanamine (PubChem CID 56665148) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methyl-1-pyridin-3-ylmethanamine.

Molecular Properties

Compound NameN-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methyl-1-pyridin-3-ylmethanamine
PubChem CID56665148
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC NameN-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methyl-1-pyridin-3-ylmethanamine
SMILESCN(Cc1cccnc1)Cc1coc(-c2cccc(F)c2)n1
InChIInChI=1S/C17H16FN3O/c1-21(10-13-4-3-7-19-9-13)11-16-12-22-17(20-16)14-5-2-6-15(18)8-14/h2-9,12H,10-11H2,1H3
InChIKeyVBCURSBTRXHESV-UHFFFAOYSA-N
XLogP3.51
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methyl-1-pyridin-3-ylmethanamine?
The IUPAC name of N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methyl-1-pyridin-3-ylmethanamine (CID 56665148) is N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methyl-1-pyridin-3-ylmethanamine.
What is the SMILES notation for N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methyl-1-pyridin-3-ylmethanamine?
The canonical SMILES for N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methyl-1-pyridin-3-ylmethanamine is CN(Cc1cccnc1)Cc1coc(-c2cccc(F)c2)n1.
What is the InChIKey of N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methyl-1-pyridin-3-ylmethanamine?
The InChIKey is VBCURSBTRXHESV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O/c1-21(10-13-4-3-7-19-9-13)11-16-12-22-17(20-16)14-5-2-6-15(18)8-14/h2-9,12H,10-11H2,1H3.
What are the key properties of N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methyl-1-pyridin-3-ylmethanamine?
N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methyl-1-pyridin-3-ylmethanamine has a molecular weight of 297.33 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(3-fluorophenyl)-1,3-oxazol-4-yl]methyl]-N-methyl-1-pyridin-3-ylmethanamine is sourced from PubChem (CID 56665148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).