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

C19H20N2O3S — CID 2745307

IUPACethyl 5-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2csc(-c3ccc(C(C)(C)C)cc3)n2)on1
InChIInChI=1S/C19H20N2O3S/c1-5-23-18(22)14-10-16(24-21-14)15-11-25-17(20-15)12-6-8-13(9-7-12)19(2,3)4/h6-11H,5H2,1-4H3
InChIKeyMBEPOYAYHBFZDN-UHFFFAOYSA-N
MW356.45 g/mol
LogP4.94
Rot. Bonds4

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

ethyl 5-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate (PubChem CID 2745307) has the molecular formula C19H20N2O3S and a molecular weight of 356.45 g/mol. Its IUPAC name is ethyl 5-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate.

Molecular Properties

Compound Nameethyl 5-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate
PubChem CID2745307
Molecular FormulaC19H20N2O3S
Molecular Weight356.45 g/mol
Exact Mass356.12
IUPAC Nameethyl 5-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate
SMILESCCOC(=O)c1cc(-c2csc(-c3ccc(C(C)(C)C)cc3)n2)on1
InChIInChI=1S/C19H20N2O3S/c1-5-23-18(22)14-10-16(24-21-14)15-11-25-17(20-15)12-6-8-13(9-7-12)19(2,3)4/h6-11H,5H2,1-4H3
InChIKeyMBEPOYAYHBFZDN-UHFFFAOYSA-N
XLogP4.94
TPSA65.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.45
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate?
The IUPAC name of ethyl 5-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate (CID 2745307) is ethyl 5-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate.
What is the SMILES notation for ethyl 5-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate?
The canonical SMILES for ethyl 5-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate is CCOC(=O)c1cc(-c2csc(-c3ccc(C(C)(C)C)cc3)n2)on1.
What is the InChIKey of ethyl 5-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate?
The InChIKey is MBEPOYAYHBFZDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O3S/c1-5-23-18(22)14-10-16(24-21-14)15-11-25-17(20-15)12-6-8-13(9-7-12)19(2,3)4/h6-11H,5H2,1-4H3.
What are the key properties of ethyl 5-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate?
ethyl 5-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate has a molecular weight of 356.45 g/mol, XLogP of 4.94, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-[2-(4-tert-butylphenyl)-1,3-thiazol-4-yl]-1,2-oxazole-3-carboxylate is sourced from PubChem (CID 2745307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).