2-(5-bromothiophen-2-yl)-4,4-dimethyl-1,3-oxazolidine;hydrochloride

C9H13BrClNOS — CID 117228171

IUPAC2-(5-bromothiophen-2-yl)-4,4-dimethyl-1,3-oxazolidine;hydrochloride
SMILESCC1(C)COC(c2ccc(Br)s2)N1.Cl
InChIInChI=1S/C9H12BrNOS.ClH/c1-9(2)5-12-8(11-9)6-3-4-7(10)13-6;/h3-4,8,11H,5H2,1-2H3;1H
InChIKeyYWBQSVGMUYNYCT-UHFFFAOYSA-N
MW298.63 g/mol
LogP3.33
Rot. Bonds1

About 2-(5-bromothiophen-2-yl)-4,4-dimethyl-1,3-oxazolidine;hydrochloride

2-(5-bromothiophen-2-yl)-4,4-dimethyl-1,3-oxazolidine;hydrochloride (PubChem CID 117228171) has the molecular formula C9H13BrClNOS and a molecular weight of 298.63 g/mol. Its IUPAC name is 2-(5-bromothiophen-2-yl)-4,4-dimethyl-1,3-oxazolidine;hydrochloride.

Molecular Properties

Compound Name2-(5-bromothiophen-2-yl)-4,4-dimethyl-1,3-oxazolidine;hydrochloride
PubChem CID117228171
Molecular FormulaC9H13BrClNOS
Molecular Weight298.63 g/mol
Exact Mass296.96
IUPAC Name2-(5-bromothiophen-2-yl)-4,4-dimethyl-1,3-oxazolidine;hydrochloride
SMILESCC1(C)COC(c2ccc(Br)s2)N1.Cl
InChIInChI=1S/C9H12BrNOS.ClH/c1-9(2)5-12-8(11-9)6-3-4-7(10)13-6;/h3-4,8,11H,5H2,1-2H3;1H
InChIKeyYWBQSVGMUYNYCT-UHFFFAOYSA-N
XLogP3.33
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.63
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromothiophen-2-yl)-5,5-dimethyl-1,3-oxazinane
CID 117226749
2-(5-chlorothiophen-2-yl)-4,4-dimethyl-1,3-oxazolidine
CID 117228170
6-(5-bromothiophen-2-yl)-2,2-dimethylmorpholine
CID 65102206
4-(5-bromothiophen-2-yl)-2,2-dimethylpyrrolidine
CID 117269751
4-(5-bromothiophen-2-yl)-2,2-dimethylpiperidine
CID 117258210
2-(5-bromothiophen-2-yl)-2,4,4-trimethyl-1,3-oxazolidine;hydrochloride
CID 117228203
9-(5-bromothiophen-2-yl)-8-oxa-11-azaspiro[5.6]dodecane
CID 103968939
2-(2-ethoxyphenyl)-4,4-dimethyl-1,3-oxazolidine
CID 82114526
2-(5-bromothiophen-2-yl)morpholine
CID 60999597
2-(5-bromothiophen-2-yl)cyclopropan-1-amine;hydrochloride
CID 118432686
2-[4,5-dibromo-2-(4,4-dimethyl-1,3-oxazolidin-2-yl)thiophen-3-yl]oxyacetaldehyde;methoxymethane
CID 143097971
3-(5-bromothiophen-2-yl)-2,2-dimethylcyclopropane-1-carboxylic acid
CID 130488378

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-2-yl)-4,4-dimethyl-1,3-oxazolidine;hydrochloride?
The IUPAC name of 2-(5-bromothiophen-2-yl)-4,4-dimethyl-1,3-oxazolidine;hydrochloride (CID 117228171) is 2-(5-bromothiophen-2-yl)-4,4-dimethyl-1,3-oxazolidine;hydrochloride.
What is the SMILES notation for 2-(5-bromothiophen-2-yl)-4,4-dimethyl-1,3-oxazolidine;hydrochloride?
The canonical SMILES for 2-(5-bromothiophen-2-yl)-4,4-dimethyl-1,3-oxazolidine;hydrochloride is CC1(C)COC(c2ccc(Br)s2)N1.Cl.
What is the InChIKey of 2-(5-bromothiophen-2-yl)-4,4-dimethyl-1,3-oxazolidine;hydrochloride?
The InChIKey is YWBQSVGMUYNYCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12BrNOS.ClH/c1-9(2)5-12-8(11-9)6-3-4-7(10)13-6;/h3-4,8,11H,5H2,1-2H3;1H.
What are the key properties of 2-(5-bromothiophen-2-yl)-4,4-dimethyl-1,3-oxazolidine;hydrochloride?
2-(5-bromothiophen-2-yl)-4,4-dimethyl-1,3-oxazolidine;hydrochloride has a molecular weight of 298.63 g/mol, XLogP of 3.33, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-2-yl)-4,4-dimethyl-1,3-oxazolidine;hydrochloride is sourced from PubChem (CID 117228171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).