tert-butyl 2-(5-bromothieno[2,3-d][1,2]oxazol-3-yl)acetate

C11H12BrNO3S — CID 141235235

IUPACtert-butyl 2-(5-bromothieno[2,3-d][1,2]oxazol-3-yl)acetate
SMILESCC(C)(C)OC(=O)Cc1noc2cc(Br)sc12
InChIInChI=1S/C11H12BrNO3S/c1-11(2,3)15-9(14)4-6-10-7(16-13-6)5-8(12)17-10/h5H,4H2,1-3H3
InChIKeyIYBXBGRBDPRJOH-UHFFFAOYSA-N
MW318.19 g/mol
LogP3.54
Rot. Bonds2

About tert-butyl 2-(5-bromothieno[2,3-d][1,2]oxazol-3-yl)acetate

tert-butyl 2-(5-bromothieno[2,3-d][1,2]oxazol-3-yl)acetate (PubChem CID 141235235) has the molecular formula C11H12BrNO3S and a molecular weight of 318.19 g/mol. Its IUPAC name is tert-butyl 2-(5-bromothieno[2,3-d][1,2]oxazol-3-yl)acetate.

Molecular Properties

Compound Nametert-butyl 2-(5-bromothieno[2,3-d][1,2]oxazol-3-yl)acetate
PubChem CID141235235
Molecular FormulaC11H12BrNO3S
Molecular Weight318.19 g/mol
Exact Mass316.97
IUPAC Nametert-butyl 2-(5-bromothieno[2,3-d][1,2]oxazol-3-yl)acetate
SMILESCC(C)(C)OC(=O)Cc1noc2cc(Br)sc12
InChIInChI=1S/C11H12BrNO3S/c1-11(2,3)15-9(14)4-6-10-7(16-13-6)5-8(12)17-10/h5H,4H2,1-3H3
InChIKeyIYBXBGRBDPRJOH-UHFFFAOYSA-N
XLogP3.54
TPSA52.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.19
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl 2-(3,5-dibromo-2-pyridinyl)acetate
CID 133061246
ethyl 5-tert-butyl-3-[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]-1,2-oxazole-4-carboxylate
CID 149081688
tert-butyl 2-(2-amino-1,3-thiazol-5-yl)acetate
CID 133058846
tert-butyl 2-(4-bromo-7-fluoro-1,3-benzothiazol-2-yl)acetate
CID 157269363
tert-butyl 4-(5-bromothiophen-2-yl)butanoate
CID 79494944
tert-butyl 2-(7-bromo-2-methyl-[1,3]thiazolo[5,4-b]pyridin-6-yl)acetate
CID 161167715
tert-butyl 2-(3-bromo-4-formylphenyl)acetate
CID 159968952
tert-butyl 2-(2-bromo-5-fluorophenyl)acetate
CID 176515254
tert-butyl 2-(5-acetyl-1,3-thiazol-2-yl)acetate
CID 158284808
tert-butyl 2-(3-iodo-5-methylpyrazol-1-yl)acetate
CID 135395562
tert-butyl 2-(5-cyanothiophen-2-yl)acetate
CID 18506730
tert-butyl 2-(4,6-dimethoxypyrimidin-2-yl)acetate
CID 133060482

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-(5-bromothieno[2,3-d][1,2]oxazol-3-yl)acetate?
The IUPAC name of tert-butyl 2-(5-bromothieno[2,3-d][1,2]oxazol-3-yl)acetate (CID 141235235) is tert-butyl 2-(5-bromothieno[2,3-d][1,2]oxazol-3-yl)acetate.
What is the SMILES notation for tert-butyl 2-(5-bromothieno[2,3-d][1,2]oxazol-3-yl)acetate?
The canonical SMILES for tert-butyl 2-(5-bromothieno[2,3-d][1,2]oxazol-3-yl)acetate is CC(C)(C)OC(=O)Cc1noc2cc(Br)sc12.
What is the InChIKey of tert-butyl 2-(5-bromothieno[2,3-d][1,2]oxazol-3-yl)acetate?
The InChIKey is IYBXBGRBDPRJOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12BrNO3S/c1-11(2,3)15-9(14)4-6-10-7(16-13-6)5-8(12)17-10/h5H,4H2,1-3H3.
What are the key properties of tert-butyl 2-(5-bromothieno[2,3-d][1,2]oxazol-3-yl)acetate?
tert-butyl 2-(5-bromothieno[2,3-d][1,2]oxazol-3-yl)acetate has a molecular weight of 318.19 g/mol, XLogP of 3.54, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-(5-bromothieno[2,3-d][1,2]oxazol-3-yl)acetate is sourced from PubChem (CID 141235235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).