(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(4-tert-butylphenoxy)acetate

C20H21NO4S — CID 9327999

IUPAC(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(4-tert-butylphenoxy)acetate
SMILESCC(C)(C)c1ccc(OCC(=O)OCc2coc(-c3cccs3)n2)cc1
InChIInChI=1S/C20H21NO4S/c1-20(2,3)14-6-8-16(9-7-14)23-13-18(22)24-11-15-12-25-19(21-15)17-5-4-10-26-17/h4-10,12H,11,13H2,1-3H3
InChIKeyOICOOLZGKBYHNT-UHFFFAOYSA-N
MW371.46 g/mol
LogP4.82
Rot. Bonds6

About (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(4-tert-butylphenoxy)acetate

(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(4-tert-butylphenoxy)acetate (PubChem CID 9327999) has the molecular formula C20H21NO4S and a molecular weight of 371.46 g/mol. Its IUPAC name is (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(4-tert-butylphenoxy)acetate.

Molecular Properties

Compound Name(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(4-tert-butylphenoxy)acetate
PubChem CID9327999
Molecular FormulaC20H21NO4S
Molecular Weight371.46 g/mol
Exact Mass371.12
IUPAC Name(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(4-tert-butylphenoxy)acetate
SMILESCC(C)(C)c1ccc(OCC(=O)OCc2coc(-c3cccs3)n2)cc1
InChIInChI=1S/C20H21NO4S/c1-20(2,3)14-6-8-16(9-7-14)23-13-18(22)24-11-15-12-25-19(21-15)17-5-4-10-26-17/h4-10,12H,11,13H2,1-3H3
InChIKeyOICOOLZGKBYHNT-UHFFFAOYSA-N
XLogP4.82
TPSA61.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.46
LogP ≤ 54.82
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-naphthalen-1-ylacetate
CID 7782747
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-ethoxy-2,2-diphenylacetate
CID 7683796
3-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzoic acid
CID 43214269
4-methoxy-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzamide
CID 18166113
5-methoxy-2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzamide
CID 51100585
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2,3-dimethylquinoxaline-6-carboxylate
CID 7720920
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 3-(4-methyl-2-oxo-1,3-thiazol-3-yl)propanoate
CID 27547861
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-(1,3-benzothiazol-2-yl)butanoate
CID 7895886
2-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methoxy]benzamide
CID 7642230
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 1-(2,2-dimethylpropanoyl)piperidine-4-carboxylate
CID 31711807
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-formylbenzoate
CID 7669328

Frequently Asked Questions

What is the IUPAC name of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(4-tert-butylphenoxy)acetate?
The IUPAC name of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(4-tert-butylphenoxy)acetate (CID 9327999) is (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(4-tert-butylphenoxy)acetate.
What is the SMILES notation for (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(4-tert-butylphenoxy)acetate?
The canonical SMILES for (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(4-tert-butylphenoxy)acetate is CC(C)(C)c1ccc(OCC(=O)OCc2coc(-c3cccs3)n2)cc1.
What is the InChIKey of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(4-tert-butylphenoxy)acetate?
The InChIKey is OICOOLZGKBYHNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21NO4S/c1-20(2,3)14-6-8-16(9-7-14)23-13-18(22)24-11-15-12-25-19(21-15)17-5-4-10-26-17/h4-10,12H,11,13H2,1-3H3.
What are the key properties of (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(4-tert-butylphenoxy)acetate?
(2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 2-(4-tert-butylphenoxy)acetate has a molecular weight of 371.46 g/mol, XLogP of 4.82, 6 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-(4-tert-butylphenoxy)acetate is sourced from PubChem (CID 9327999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).