[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate

C24H20N2O4 — CID 138465283

IUPAC[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate
SMILESCCc1ccc(-c2cc(COC(=O)c3ccc(Oc4ccccc4)nc3)on2)cc1
InChIInChI=1S/C24H20N2O4/c1-2-17-8-10-18(11-9-17)22-14-21(30-26-22)16-28-24(27)19-12-13-23(25-15-19)29-20-6-4-3-5-7-20/h3-15H,2,16H2,1H3
InChIKeyVRKOEZOOEFOUBB-UHFFFAOYSA-N
MW400.43 g/mol
LogP5.45
Rot. Bonds7

About [3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate

[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate (PubChem CID 138465283) has the molecular formula C24H20N2O4 and a molecular weight of 400.43 g/mol. Its IUPAC name is [3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate.

Molecular Properties

Compound Name[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate
PubChem CID138465283
Molecular FormulaC24H20N2O4
Molecular Weight400.43 g/mol
Exact Mass400.14
IUPAC Name[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate
SMILESCCc1ccc(-c2cc(COC(=O)c3ccc(Oc4ccccc4)nc3)on2)cc1
InChIInChI=1S/C24H20N2O4/c1-2-17-8-10-18(11-9-17)22-14-21(30-26-22)16-28-24(27)19-12-13-23(25-15-19)29-20-6-4-3-5-7-20/h3-15H,2,16H2,1H3
InChIKeyVRKOEZOOEFOUBB-UHFFFAOYSA-N
XLogP5.45
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.43
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[3-(4-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-methylpyridine-3-carboxylate
CID 159539835
6-(4-ethylphenoxy)pyridine-3-carboxamide
CID 91553748
(3-phenyl-1,2-oxazol-5-yl)methyl 3,5-dimethoxy-4-methylbenzoate
CID 30036377
[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl cyclopenta-2,4-diene-1-carboxylate
CID 130347864
[3-(4-chlorophenyl)-1,2-oxazol-5-yl]methyl 6-(trifluoromethyl)pyridine-3-carboxylate
CID 138465127
ethyl 6-[4-(aminomethyl)phenoxy]pyridine-3-carboxylate
CID 106485599
(3-phenyl-1,2-oxazol-5-yl)methyl 4-[[(2S)-oxolan-2-yl]methoxy]benzoate
CID 37142164
5-(phenoxymethyl)-3-phenyl-1,2-oxazole
CID 1480808
oxan-2-ylmethyl 6-phenoxypyridine-3-carboxylate
CID 78888195
ethyl 6-pyridin-3-yloxypyridine-3-carboxylate
CID 23149048
(3-bromo-1,2-oxazol-5-yl)methyl benzoate
CID 52951006
ethyl 6-[4-(methylaminomethyl)phenoxy]pyridine-3-carboxylate
CID 106486678

Frequently Asked Questions

What is the IUPAC name of [3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate?
The IUPAC name of [3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate (CID 138465283) is [3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate.
What is the SMILES notation for [3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate?
The canonical SMILES for [3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate is CCc1ccc(-c2cc(COC(=O)c3ccc(Oc4ccccc4)nc3)on2)cc1.
What is the InChIKey of [3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate?
The InChIKey is VRKOEZOOEFOUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O4/c1-2-17-8-10-18(11-9-17)22-14-21(30-26-22)16-28-24(27)19-12-13-23(25-15-19)29-20-6-4-3-5-7-20/h3-15H,2,16H2,1H3.
What are the key properties of [3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate?
[3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate has a molecular weight of 400.43 g/mol, XLogP of 5.45, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-ethylphenyl)-1,2-oxazol-5-yl]methyl 6-phenoxypyridine-3-carboxylate is sourced from PubChem (CID 138465283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).