ethyl 1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazole-2-carboxylate

C19H21N3O4 — CID 56743702

IUPACethyl 1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazole-2-carboxylate
SMILESCCOC(=O)c1nccn1Cc1nc(-c2ccccc2OCC)oc1C
InChIInChI=1S/C19H21N3O4/c1-4-24-16-9-7-6-8-14(16)18-21-15(13(3)26-18)12-22-11-10-20-17(22)19(23)25-5-2/h6-11H,4-5,12H2,1-3H3
InChIKeyHCZCWMNCFRFAMV-UHFFFAOYSA-N
MW355.39 g/mol
LogP3.47
Rot. Bonds7

About ethyl 1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazole-2-carboxylate

ethyl 1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazole-2-carboxylate (PubChem CID 56743702) has the molecular formula C19H21N3O4 and a molecular weight of 355.39 g/mol. Its IUPAC name is ethyl 1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazole-2-carboxylate.

Molecular Properties

Compound Nameethyl 1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazole-2-carboxylate
PubChem CID56743702
Molecular FormulaC19H21N3O4
Molecular Weight355.39 g/mol
Exact Mass355.15
IUPAC Nameethyl 1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazole-2-carboxylate
SMILESCCOC(=O)c1nccn1Cc1nc(-c2ccccc2OCC)oc1C
InChIInChI=1S/C19H21N3O4/c1-4-24-16-9-7-6-8-14(16)18-21-15(13(3)26-18)12-22-11-10-20-17(22)19(23)25-5-2/h6-11H,4-5,12H2,1-3H3
InChIKeyHCZCWMNCFRFAMV-UHFFFAOYSA-N
XLogP3.47
TPSA79.38 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]acetamide
CID 56743559
ethyl 5-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-6-methyl-4-oxo-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 46353017
methyl (2S)-1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]pyrrolidine-2-carboxylate
CID 42526423
2-(2-ethoxyphenyl)-4-[(4-methoxypiperidin-1-yl)methyl]-5-methyl-1,3-oxazole
CID 25491864
[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl 1-(4-fluorophenyl)-5-methyltriazole-4-carboxylate
CID 50763839
1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-N-(2-methoxyphenyl)-5-methyltriazole-4-carboxamide
CID 42585449
5-methyl-4-[(2-methylsulfonylimidazol-1-yl)methyl]-2-phenyl-1,3-oxazole
CID 71981264
(S)-[1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-4-yl]-thiophen-2-ylmethanol
CID 25482206
3-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-1,7-dimethylpyrimido[4,5-d]pyrimidine-2,4-dione
CID 53116493
[1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]piperidin-3-yl]-pyridin-3-ylmethanone
CID 45243561
2-(2-ethoxyphenyl)-5-methyl-4-[[3-[(2S)-2-methylpiperidin-1-yl]azetidin-1-yl]methyl]-1,3-oxazole
CID 95204232
ethyl 4-ethyl-2-(2-methoxyphenyl)-1,3-oxazole-5-carboxylate
CID 104842680

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazole-2-carboxylate?
The IUPAC name of ethyl 1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazole-2-carboxylate (CID 56743702) is ethyl 1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazole-2-carboxylate.
What is the SMILES notation for ethyl 1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazole-2-carboxylate?
The canonical SMILES for ethyl 1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazole-2-carboxylate is CCOC(=O)c1nccn1Cc1nc(-c2ccccc2OCC)oc1C.
What is the InChIKey of ethyl 1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazole-2-carboxylate?
The InChIKey is HCZCWMNCFRFAMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4/c1-4-24-16-9-7-6-8-14(16)18-21-15(13(3)26-18)12-22-11-10-20-17(22)19(23)25-5-2/h6-11H,4-5,12H2,1-3H3.
What are the key properties of ethyl 1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazole-2-carboxylate?
ethyl 1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazole-2-carboxylate has a molecular weight of 355.39 g/mol, XLogP of 3.47, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[[2-(2-ethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl]imidazole-2-carboxylate is sourced from PubChem (CID 56743702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).