N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide

C19H19N3O4 — CID 47063430

IUPACN-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCCOc1ccc(Oc2cc(CNC(=O)c3cc(C)on3)ccn2)cc1
InChIInChI=1S/C19H19N3O4/c1-3-24-15-4-6-16(7-5-15)25-18-11-14(8-9-20-18)12-21-19(23)17-10-13(2)26-22-17/h4-11H,3,12H2,1-2H3,(H,21,23)
InChIKeyNJETXFYQAHXUPL-UHFFFAOYSA-N
MW353.38 g/mol
LogP3.50
Rot. Bonds7

About N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 47063430) has the molecular formula C19H19N3O4 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID47063430
Molecular FormulaC19H19N3O4
Molecular Weight353.38 g/mol
Exact Mass353.14
IUPAC NameN-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCCOc1ccc(Oc2cc(CNC(=O)c3cc(C)on3)ccn2)cc1
InChIInChI=1S/C19H19N3O4/c1-3-24-15-4-6-16(7-5-15)25-18-11-14(8-9-20-18)12-21-19(23)17-10-13(2)26-22-17/h4-11H,3,12H2,1-2H3,(H,21,23)
InChIKeyNJETXFYQAHXUPL-UHFFFAOYSA-N
XLogP3.50
TPSA86.48 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-3,5-dimethoxy-4-methylbenzamide
CID 55887692
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-fluoro-2-methylbenzamide
CID 55888466
2-ethoxy-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]pyridine-3-carboxamide
CID 55886671
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 47063435
2,4-dichloro-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]benzamide
CID 55888077
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-(methylamino)acetamide;hydrochloride
CID 120703944
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-2-naphthalen-1-ylacetamide
CID 55888076
4-amino-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]butanamide
CID 119847529
(E)-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-3-(furan-2-yl)prop-2-enamide
CID 60534017
N-[[4-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55887705
2-cyclohexyl-N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]acetamide
CID 55887691
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-1-(2-fluorophenyl)-6-methyl-4-oxopyridazine-3-carboxamide
CID 55888338

Frequently Asked Questions

What is the IUPAC name of N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 47063430) is N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide is CCOc1ccc(Oc2cc(CNC(=O)c3cc(C)on3)ccn2)cc1.
What is the InChIKey of N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is NJETXFYQAHXUPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O4/c1-3-24-15-4-6-16(7-5-15)25-18-11-14(8-9-20-18)12-21-19(23)17-10-13(2)26-22-17/h4-11H,3,12H2,1-2H3,(H,21,23).
What are the key properties of N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 47063430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).