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

C18H19N3O2 — CID 56658472

IUPACN-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-pyridin-2-ylethanamine
SMILESCOc1ccc(-c2nc(CNCCc3ccccn3)co2)cc1
InChIInChI=1S/C18H19N3O2/c1-22-17-7-5-14(6-8-17)18-21-16(13-23-18)12-19-11-9-15-4-2-3-10-20-15/h2-8,10,13,19H,9,11-12H2,1H3
InChIKeyVGOXWFSRQKFYJT-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.08
Rot. Bonds7

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

N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-pyridin-2-ylethanamine (PubChem CID 56658472) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-pyridin-2-ylethanamine.

Molecular Properties

Compound NameN-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-pyridin-2-ylethanamine
PubChem CID56658472
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC NameN-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-pyridin-2-ylethanamine
SMILESCOc1ccc(-c2nc(CNCCc3ccccn3)co2)cc1
InChIInChI=1S/C18H19N3O2/c1-22-17-7-5-14(6-8-17)18-21-16(13-23-18)12-19-11-9-15-4-2-3-10-20-15/h2-8,10,13,19H,9,11-12H2,1H3
InChIKeyVGOXWFSRQKFYJT-UHFFFAOYSA-N
XLogP3.08
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-pyridin-2-ylethanamine?
The IUPAC name of N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-pyridin-2-ylethanamine (CID 56658472) is N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-pyridin-2-ylethanamine.
What is the SMILES notation for N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-pyridin-2-ylethanamine?
The canonical SMILES for N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-pyridin-2-ylethanamine is COc1ccc(-c2nc(CNCCc3ccccn3)co2)cc1.
What is the InChIKey of N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-pyridin-2-ylethanamine?
The InChIKey is VGOXWFSRQKFYJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-22-17-7-5-14(6-8-17)18-21-16(13-23-18)12-19-11-9-15-4-2-3-10-20-15/h2-8,10,13,19H,9,11-12H2,1H3.
What are the key properties of N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-pyridin-2-ylethanamine?
N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-pyridin-2-ylethanamine has a molecular weight of 309.37 g/mol, XLogP of 3.08, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]-2-pyridin-2-ylethanamine is sourced from PubChem (CID 56658472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).