ethyl 2-[(E)-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethenyl]-1,3-thiazole-5-carboxylate

C18H16N2O3S — CID 66643683

IUPACethyl 2-[(E)-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethenyl]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(/C=C/c2c(-c3ccccc3)noc2C)s1
InChIInChI=1S/C18H16N2O3S/c1-3-22-18(21)15-11-19-16(24-15)10-9-14-12(2)23-20-17(14)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3/b10-9+
InChIKeyPUGLERSZTOONGB-MDZDMXLPSA-N
MW340.40 g/mol
LogP4.45
Rot. Bonds5

About ethyl 2-[(E)-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethenyl]-1,3-thiazole-5-carboxylate

ethyl 2-[(E)-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethenyl]-1,3-thiazole-5-carboxylate (PubChem CID 66643683) has the molecular formula C18H16N2O3S and a molecular weight of 340.40 g/mol. Its IUPAC name is ethyl 2-[(E)-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethenyl]-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(E)-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethenyl]-1,3-thiazole-5-carboxylate
PubChem CID66643683
Molecular FormulaC18H16N2O3S
Molecular Weight340.40 g/mol
Exact Mass340.09
IUPAC Nameethyl 2-[(E)-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethenyl]-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1cnc(/C=C/c2c(-c3ccccc3)noc2C)s1
InChIInChI=1S/C18H16N2O3S/c1-3-22-18(21)15-11-19-16(24-15)10-9-14-12(2)23-20-17(14)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3/b10-9+
InChIKeyPUGLERSZTOONGB-MDZDMXLPSA-N
XLogP4.45
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.40
LogP ≤ 54.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(E)-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethenyl]-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[(E)-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethenyl]-1,3-thiazole-5-carboxylate (CID 66643683) is ethyl 2-[(E)-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethenyl]-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[(E)-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethenyl]-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[(E)-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethenyl]-1,3-thiazole-5-carboxylate is CCOC(=O)c1cnc(/C=C/c2c(-c3ccccc3)noc2C)s1.
What is the InChIKey of ethyl 2-[(E)-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethenyl]-1,3-thiazole-5-carboxylate?
The InChIKey is PUGLERSZTOONGB-MDZDMXLPSA-N. The full InChI is InChI=1S/C18H16N2O3S/c1-3-22-18(21)15-11-19-16(24-15)10-9-14-12(2)23-20-17(14)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3/b10-9+.
What are the key properties of ethyl 2-[(E)-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethenyl]-1,3-thiazole-5-carboxylate?
ethyl 2-[(E)-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethenyl]-1,3-thiazole-5-carboxylate has a molecular weight of 340.40 g/mol, XLogP of 4.45, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(E)-2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)ethenyl]-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 66643683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).