[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-oxo-1-propylpyridazine-3-carboxylate

C19H19N3O5 — CID 16581254

IUPAC[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-oxo-1-propylpyridazine-3-carboxylate
SMILESCCCn1nc(C(=O)OCc2cc(-c3ccccc3OC)no2)ccc1=O
InChIInChI=1S/C19H19N3O5/c1-3-10-22-18(23)9-8-15(20-22)19(24)26-12-13-11-16(21-27-13)14-6-4-5-7-17(14)25-2/h4-9,11H,3,10,12H2,1-2H3
InChIKeyAQSNEUUMJOJJSG-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.67
Rot. Bonds7

About [3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-oxo-1-propylpyridazine-3-carboxylate

[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-oxo-1-propylpyridazine-3-carboxylate (PubChem CID 16581254) has the molecular formula C19H19N3O5 and a molecular weight of 369.38 g/mol. Its IUPAC name is [3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-oxo-1-propylpyridazine-3-carboxylate.

Molecular Properties

Compound Name[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-oxo-1-propylpyridazine-3-carboxylate
PubChem CID16581254
Molecular FormulaC19H19N3O5
Molecular Weight369.38 g/mol
Exact Mass369.13
IUPAC Name[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-oxo-1-propylpyridazine-3-carboxylate
SMILESCCCn1nc(C(=O)OCc2cc(-c3ccccc3OC)no2)ccc1=O
InChIInChI=1S/C19H19N3O5/c1-3-10-22-18(23)9-8-15(20-22)19(24)26-12-13-11-16(21-27-13)14-6-4-5-7-17(14)25-2/h4-9,11H,3,10,12H2,1-2H3
InChIKeyAQSNEUUMJOJJSG-UHFFFAOYSA-N
XLogP2.67
TPSA96.45 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-oxo-1-propylpyridazine-3-carboxylate with MolForge

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Related Compounds

[4-[(6-oxo-1-propylpyridazine-3-carbonyl)oxymethyl]phenyl]methyl 6-oxo-1-propylpyridazine-3-carboxylate
CID 30563601
methyl 1-[2-[[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methoxy]-2-oxoethyl]indole-3-carboxylate
CID 30090937
4-acetyl-6-(2-methoxyphenyl)-2-propylpyridazin-3-one
CID 82446787
methyl 4,5-dimethoxy-2-[(6-oxo-1-propylpyridazine-3-carbonyl)amino]benzoate
CID 18081327
[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 2-methyl-6-nitrobenzoate
CID 24585172
[2-[(3,4-dimethoxyphenyl)methylamino]-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate
CID 18080743
(2-anilino-2-oxoethyl) 6-oxo-1-propylpyridazine-3-carboxylate
CID 18080248
(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)methyl 1-butyl-6-oxopyridazine-3-carboxylate
CID 18283740
[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 4-(trifluoromethyl)quinoline-3-carboxylate
CID 24631173
2-(1,3-dioxoisoindol-2-yl)ethyl 1-butyl-6-oxopyridazine-3-carboxylate
CID 30682303
ethyl (2S)-2-[3-(2-methoxyphenyl)-6-oxopyridazin-1-yl]propanoate
CID 7662608
[2-(2-benzoylanilino)-2-oxoethyl] 6-oxo-1-propylpyridazine-3-carboxylate
CID 30696795

Frequently Asked Questions

What is the IUPAC name of [3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-oxo-1-propylpyridazine-3-carboxylate?
The IUPAC name of [3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-oxo-1-propylpyridazine-3-carboxylate (CID 16581254) is [3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-oxo-1-propylpyridazine-3-carboxylate.
What is the SMILES notation for [3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-oxo-1-propylpyridazine-3-carboxylate?
The canonical SMILES for [3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-oxo-1-propylpyridazine-3-carboxylate is CCCn1nc(C(=O)OCc2cc(-c3ccccc3OC)no2)ccc1=O.
What is the InChIKey of [3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-oxo-1-propylpyridazine-3-carboxylate?
The InChIKey is AQSNEUUMJOJJSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5/c1-3-10-22-18(23)9-8-15(20-22)19(24)26-12-13-11-16(21-27-13)14-6-4-5-7-17(14)25-2/h4-9,11H,3,10,12H2,1-2H3.
What are the key properties of [3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-oxo-1-propylpyridazine-3-carboxylate?
[3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-oxo-1-propylpyridazine-3-carboxylate has a molecular weight of 369.38 g/mol, XLogP of 2.67, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-methoxyphenyl)-1,2-oxazol-5-yl]methyl 6-oxo-1-propylpyridazine-3-carboxylate is sourced from PubChem (CID 16581254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).