N-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine

C18H16FN5O — CID 119043514

IUPACN-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
SMILESCC(NCc1ncc(-c2ccccc2F)o1)c1nnc2ccccn12
InChIInChI=1S/C18H16FN5O/c1-12(18-23-22-16-8-4-5-9-24(16)18)20-11-17-21-10-15(25-17)13-6-2-3-7-14(13)19/h2-10,12,20H,11H2,1H3
InChIKeyFIPZNEXUGCDRDP-UHFFFAOYSA-N
MW337.36 g/mol
LogP3.37
Rot. Bonds5

About N-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine

N-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine (PubChem CID 119043514) has the molecular formula C18H16FN5O and a molecular weight of 337.36 g/mol. Its IUPAC name is N-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine.

Molecular Properties

Compound NameN-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
PubChem CID119043514
Molecular FormulaC18H16FN5O
Molecular Weight337.36 g/mol
Exact Mass337.13
IUPAC NameN-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine
SMILESCC(NCc1ncc(-c2ccccc2F)o1)c1nnc2ccccn12
InChIInChI=1S/C18H16FN5O/c1-12(18-23-22-16-8-4-5-9-24(16)18)20-11-17-21-10-15(25-17)13-6-2-3-7-14(13)19/h2-10,12,20H,11H2,1H3
InChIKeyFIPZNEXUGCDRDP-UHFFFAOYSA-N
XLogP3.37
TPSA68.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.36
LogP ≤ 53.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
The IUPAC name of N-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine (CID 119043514) is N-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine.
What is the SMILES notation for N-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
The canonical SMILES for N-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine is CC(NCc1ncc(-c2ccccc2F)o1)c1nnc2ccccn12.
What is the InChIKey of N-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
The InChIKey is FIPZNEXUGCDRDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN5O/c1-12(18-23-22-16-8-4-5-9-24(16)18)20-11-17-21-10-15(25-17)13-6-2-3-7-14(13)19/h2-10,12,20H,11H2,1H3.
What are the key properties of N-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine?
N-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine has a molecular weight of 337.36 g/mol, XLogP of 3.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-fluorophenyl)-1,3-oxazol-2-yl]methyl]-1-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethanamine is sourced from PubChem (CID 119043514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).