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

C16H14N2O4S — CID 2745311

IUPACethyl 5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2csc(COc3ccccc3)n2)on1
InChIInChI=1S/C16H14N2O4S/c1-2-20-16(19)12-8-14(22-18-12)13-10-23-15(17-13)9-21-11-6-4-3-5-7-11/h3-8,10H,2,9H2,1H3
InChIKeyNRPBDWXEUOYCBT-UHFFFAOYSA-N
MW330.37 g/mol
LogP3.55
Rot. Bonds6

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

ethyl 5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate (PubChem CID 2745311) has the molecular formula C16H14N2O4S and a molecular weight of 330.37 g/mol. Its IUPAC name is ethyl 5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate
PubChem CID2745311
Molecular FormulaC16H14N2O4S
Molecular Weight330.37 g/mol
Exact Mass330.07
IUPAC Nameethyl 5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2csc(COc3ccccc3)n2)on1
InChIInChI=1S/C16H14N2O4S/c1-2-20-16(19)12-8-14(22-18-12)13-10-23-15(17-13)9-21-11-6-4-3-5-7-11/h3-8,10H,2,9H2,1H3
InChIKeyNRPBDWXEUOYCBT-UHFFFAOYSA-N
XLogP3.55
TPSA74.45 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.37
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate (CID 2745311) is ethyl 5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(-c2csc(COc3ccccc3)n2)on1.
What is the InChIKey of ethyl 5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate?
The InChIKey is NRPBDWXEUOYCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O4S/c1-2-20-16(19)12-8-14(22-18-12)13-10-23-15(17-13)9-21-11-6-4-3-5-7-11/h3-8,10H,2,9H2,1H3.
What are the key properties of ethyl 5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate?
ethyl 5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate has a molecular weight of 330.37 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 2745311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).