ethyl 5-methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate

C17H16N2O4S — CID 2744703

IUPACethyl 5-methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1noc(C)c1-c1csc(COc2ccccc2)n1
InChIInChI=1S/C17H16N2O4S/c1-3-21-17(20)16-15(11(2)23-19-16)13-10-24-14(18-13)9-22-12-7-5-4-6-8-12/h4-8,10H,3,9H2,1-2H3
InChIKeyNWNCHQTXLJSOQA-UHFFFAOYSA-N
MW344.39 g/mol
LogP3.86
Rot. Bonds6

About ethyl 5-methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate

ethyl 5-methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate (PubChem CID 2744703) has the molecular formula C17H16N2O4S and a molecular weight of 344.39 g/mol. Its IUPAC name is ethyl 5-methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate
PubChem CID2744703
Molecular FormulaC17H16N2O4S
Molecular Weight344.39 g/mol
Exact Mass344.08
IUPAC Nameethyl 5-methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1noc(C)c1-c1csc(COc2ccccc2)n1
InChIInChI=1S/C17H16N2O4S/c1-3-21-17(20)16-15(11(2)23-19-16)13-10-24-14(18-13)9-22-12-7-5-4-6-8-12/h4-8,10H,3,9H2,1-2H3
InChIKeyNWNCHQTXLJSOQA-UHFFFAOYSA-N
XLogP3.86
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.39
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate (CID 2744703) is ethyl 5-methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate is CCOC(=O)c1noc(C)c1-c1csc(COc2ccccc2)n1.
What is the InChIKey of ethyl 5-methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate?
The InChIKey is NWNCHQTXLJSOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4S/c1-3-21-17(20)16-15(11(2)23-19-16)13-10-24-14(18-13)9-22-12-7-5-4-6-8-12/h4-8,10H,3,9H2,1-2H3.
What are the key properties of ethyl 5-methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate?
ethyl 5-methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate has a molecular weight of 344.39 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-methyl-4-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 2744703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).