(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-ethoxy-2,2-diphenylacetate

C24H21NO4S — CID 7683796

IUPAC(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-ethoxy-2,2-diphenylacetate
SMILESCCOC(C(=O)OCc1coc(-c2cccs2)n1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H21NO4S/c1-2-29-24(18-10-5-3-6-11-18,19-12-7-4-8-13-19)23(26)28-17-20-16-27-22(25-20)21-14-9-15-30-21/h3-16H,2,17H2,1H3
InChIKeyGAJANQCDJMNIJQ-UHFFFAOYSA-N
MW419.50 g/mol
LogP5.43
Rot. Bonds8

About (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-ethoxy-2,2-diphenylacetate

(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-ethoxy-2,2-diphenylacetate (PubChem CID 7683796) has the molecular formula C24H21NO4S and a molecular weight of 419.50 g/mol. Its IUPAC name is (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-ethoxy-2,2-diphenylacetate.

Molecular Properties

Compound Name(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-ethoxy-2,2-diphenylacetate
PubChem CID7683796
Molecular FormulaC24H21NO4S
Molecular Weight419.50 g/mol
Exact Mass419.12
IUPAC Name(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-ethoxy-2,2-diphenylacetate
SMILESCCOC(C(=O)OCc1coc(-c2cccs2)n1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H21NO4S/c1-2-29-24(18-10-5-3-6-11-18,19-12-7-4-8-13-19)23(26)28-17-20-16-27-22(25-20)21-14-9-15-30-21/h3-16H,2,17H2,1H3
InChIKeyGAJANQCDJMNIJQ-UHFFFAOYSA-N
XLogP5.43
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500419.50
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl thiophene-2-carboxylate
CID 8631208
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(4-tert-butylphenoxy)acetate
CID 9327999
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-naphthalen-1-ylacetate
CID 7782747
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-methyl-4-phenyl-1,3-thiazole-5-carboxylate
CID 8618160
3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzoic acid
CID 43214269
2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzamide
CID 7642230
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2-ethoxy-2,2-diphenylacetate
CID 8956999
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-formylbenzoate
CID 7669328
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 5-chlorothiophene-2-carboxylate
CID 7146562
3-(2-thiophen-2-yl-1,3-oxazol-4-yl)propanoic acid
CID 82287085
2-methyl-2-[[2-(2-thiophen-2-yl-1,3-oxazol-4-yl)acetyl]amino]butanoic acid
CID 119199569
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-(phenylcarbamoyl)piperidine-4-carboxylate
CID 7836511

Frequently Asked Questions

What is the IUPAC name of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-ethoxy-2,2-diphenylacetate?
The IUPAC name of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-ethoxy-2,2-diphenylacetate (CID 7683796) is (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-ethoxy-2,2-diphenylacetate.
What is the SMILES notation for (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-ethoxy-2,2-diphenylacetate?
The canonical SMILES for (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-ethoxy-2,2-diphenylacetate is CCOC(C(=O)OCc1coc(-c2cccs2)n1)(c1ccccc1)c1ccccc1.
What is the InChIKey of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-ethoxy-2,2-diphenylacetate?
The InChIKey is GAJANQCDJMNIJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO4S/c1-2-29-24(18-10-5-3-6-11-18,19-12-7-4-8-13-19)23(26)28-17-20-16-27-22(25-20)21-14-9-15-30-21/h3-16H,2,17H2,1H3.
What are the key properties of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-ethoxy-2,2-diphenylacetate?
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-ethoxy-2,2-diphenylacetate has a molecular weight of 419.50 g/mol, XLogP of 5.43, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-ethoxy-2,2-diphenylacetate is sourced from PubChem (CID 7683796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).