2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]-N-(pyridin-4-ylmethyl)ethanamine

C18H19N3O2 — CID 56827316

IUPAC2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]-N-(pyridin-4-ylmethyl)ethanamine
SMILESCOc1ccc(-c2nc(CCNCc3ccncc3)co2)cc1
InChIInChI=1S/C18H19N3O2/c1-22-17-4-2-15(3-5-17)18-21-16(13-23-18)8-11-20-12-14-6-9-19-10-7-14/h2-7,9-10,13,20H,8,11-12H2,1H3
InChIKeyUKQMLVQJGFYQPN-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.08
Rot. Bonds7

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

2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]-N-(pyridin-4-ylmethyl)ethanamine (PubChem CID 56827316) has the molecular formula C18H19N3O2 and a molecular weight of 309.37 g/mol. Its IUPAC name is 2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]-N-(pyridin-4-ylmethyl)ethanamine.

Molecular Properties

Compound Name2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]-N-(pyridin-4-ylmethyl)ethanamine
PubChem CID56827316
Molecular FormulaC18H19N3O2
Molecular Weight309.37 g/mol
Exact Mass309.15
IUPAC Name2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]-N-(pyridin-4-ylmethyl)ethanamine
SMILESCOc1ccc(-c2nc(CCNCc3ccncc3)co2)cc1
InChIInChI=1S/C18H19N3O2/c1-22-17-4-2-15(3-5-17)18-21-16(13-23-18)8-11-20-12-14-6-9-19-10-7-14/h2-7,9-10,13,20H,8,11-12H2,1H3
InChIKeyUKQMLVQJGFYQPN-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 2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]-N-(pyridin-4-ylmethyl)ethanamine?
The IUPAC name of 2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]-N-(pyridin-4-ylmethyl)ethanamine (CID 56827316) is 2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]-N-(pyridin-4-ylmethyl)ethanamine.
What is the SMILES notation for 2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]-N-(pyridin-4-ylmethyl)ethanamine?
The canonical SMILES for 2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]-N-(pyridin-4-ylmethyl)ethanamine is COc1ccc(-c2nc(CCNCc3ccncc3)co2)cc1.
What is the InChIKey of 2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]-N-(pyridin-4-ylmethyl)ethanamine?
The InChIKey is UKQMLVQJGFYQPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O2/c1-22-17-4-2-15(3-5-17)18-21-16(13-23-18)8-11-20-12-14-6-9-19-10-7-14/h2-7,9-10,13,20H,8,11-12H2,1H3.
What are the key properties of 2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]-N-(pyridin-4-ylmethyl)ethanamine?
2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]-N-(pyridin-4-ylmethyl)ethanamine 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 2-[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]-N-(pyridin-4-ylmethyl)ethanamine is sourced from PubChem (CID 56827316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).