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

C17H16FN3O — CID 56659393

IUPACN-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-pyridin-2-ylethanamine
SMILESFc1ccc(-c2nc(CNCCc3ccccn3)co2)cc1
InChIInChI=1S/C17H16FN3O/c18-14-6-4-13(5-7-14)17-21-16(12-22-17)11-19-10-8-15-3-1-2-9-20-15/h1-7,9,12,19H,8,10-11H2
InChIKeyMACFLEVOXSQOEE-UHFFFAOYSA-N
MW297.33 g/mol
LogP3.21
Rot. Bonds6

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

N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-pyridin-2-ylethanamine (PubChem CID 56659393) has the molecular formula C17H16FN3O and a molecular weight of 297.33 g/mol. Its IUPAC name is N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-pyridin-2-ylethanamine
PubChem CID56659393
Molecular FormulaC17H16FN3O
Molecular Weight297.33 g/mol
Exact Mass297.13
IUPAC NameN-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-pyridin-2-ylethanamine
SMILESFc1ccc(-c2nc(CNCCc3ccccn3)co2)cc1
InChIInChI=1S/C17H16FN3O/c18-14-6-4-13(5-7-14)17-21-16(12-22-17)11-19-10-8-15-3-1-2-9-20-15/h1-7,9,12,19H,8,10-11H2
InChIKeyMACFLEVOXSQOEE-UHFFFAOYSA-N
XLogP3.21
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.33
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-pyridin-2-ylethanamine?
The IUPAC name of N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-pyridin-2-ylethanamine (CID 56659393) is N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-pyridin-2-ylethanamine.
What is the SMILES notation for N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-pyridin-2-ylethanamine?
The canonical SMILES for N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-pyridin-2-ylethanamine is Fc1ccc(-c2nc(CNCCc3ccccn3)co2)cc1.
What is the InChIKey of N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-pyridin-2-ylethanamine?
The InChIKey is MACFLEVOXSQOEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN3O/c18-14-6-4-13(5-7-14)17-21-16(12-22-17)11-19-10-8-15-3-1-2-9-20-15/h1-7,9,12,19H,8,10-11H2.
What are the key properties of N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-pyridin-2-ylethanamine?
N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-pyridin-2-ylethanamine has a molecular weight of 297.33 g/mol, XLogP of 3.21, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-fluorophenyl)-1,3-oxazol-4-yl]methyl]-2-pyridin-2-ylethanamine is sourced from PubChem (CID 56659393), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).