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

C9H13Cl2NO2 — CID 117228177

IUPAC2-(5-chlorofuran-2-yl)-2,4-dimethyl-1,3-oxazolidine;hydrochloride
SMILESCC1COC(C)(c2ccc(Cl)o2)N1.Cl
InChIInChI=1S/C9H12ClNO2.ClH/c1-6-5-12-9(2,11-6)7-3-4-8(10)13-7;/h3-4,6,11H,5H2,1-2H3;1H
InChIKeyBLJXKRQCSNGFIO-UHFFFAOYSA-N
MW238.11 g/mol
LogP2.54
Rot. Bonds1

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

2-(5-chlorofuran-2-yl)-2,4-dimethyl-1,3-oxazolidine;hydrochloride (PubChem CID 117228177) has the molecular formula C9H13Cl2NO2 and a molecular weight of 238.11 g/mol. Its IUPAC name is 2-(5-chlorofuran-2-yl)-2,4-dimethyl-1,3-oxazolidine;hydrochloride.

Molecular Properties

Compound Name2-(5-chlorofuran-2-yl)-2,4-dimethyl-1,3-oxazolidine;hydrochloride
PubChem CID117228177
Molecular FormulaC9H13Cl2NO2
Molecular Weight238.11 g/mol
Exact Mass237.03
IUPAC Name2-(5-chlorofuran-2-yl)-2,4-dimethyl-1,3-oxazolidine;hydrochloride
SMILESCC1COC(C)(c2ccc(Cl)o2)N1.Cl
InChIInChI=1S/C9H12ClNO2.ClH/c1-6-5-12-9(2,11-6)7-3-4-8(10)13-7;/h3-4,6,11H,5H2,1-2H3;1H
InChIKeyBLJXKRQCSNGFIO-UHFFFAOYSA-N
XLogP2.54
TPSA34.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.11
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,4-dimethyl-1,3-oxazolidin-2-yl)phenol
CID 117228509
2,4-dimethyl-2-pyridin-2-yl-1,3-oxazolidine
CID 117228214
2-(3-fluorophenyl)-2,4-dimethyl-1,3-oxazolidine
CID 117228450
2-(3-bromophenyl)-2,4-dimethyl-1,3-oxazolidine
CID 117228454
1-(5-chlorofuran-2-yl)cyclopropan-1-ol
CID 106689651
2,4-dimethyl-2-(thiophen-2-ylmethyl)-1,3-oxazolidine;hydrochloride
CID 117228639
1-(5-chlorofuran-2-yl)cyclobutan-1-amine
CID 82653369
2,4-dimethyl-2-propan-2-yl-1,3-oxazolidine;hydrochloride
CID 117228417
1-(5-chlorofuran-2-yl)cyclopentan-1-ol
CID 115073903
(4S)-2-ethyl-4-methyl-2-phenyl-1,3-oxazolidine
CID 129299328
2,4-dimethyl-2-(oxan-4-yl)-1,3-oxazolidine;hydrochloride
CID 117227645
2-[(2-methoxyphenyl)methyl]-2,4-dimethyl-1,3-oxazolidine
CID 117228325

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorofuran-2-yl)-2,4-dimethyl-1,3-oxazolidine;hydrochloride?
The IUPAC name of 2-(5-chlorofuran-2-yl)-2,4-dimethyl-1,3-oxazolidine;hydrochloride (CID 117228177) is 2-(5-chlorofuran-2-yl)-2,4-dimethyl-1,3-oxazolidine;hydrochloride.
What is the SMILES notation for 2-(5-chlorofuran-2-yl)-2,4-dimethyl-1,3-oxazolidine;hydrochloride?
The canonical SMILES for 2-(5-chlorofuran-2-yl)-2,4-dimethyl-1,3-oxazolidine;hydrochloride is CC1COC(C)(c2ccc(Cl)o2)N1.Cl.
What is the InChIKey of 2-(5-chlorofuran-2-yl)-2,4-dimethyl-1,3-oxazolidine;hydrochloride?
The InChIKey is BLJXKRQCSNGFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNO2.ClH/c1-6-5-12-9(2,11-6)7-3-4-8(10)13-7;/h3-4,6,11H,5H2,1-2H3;1H.
What are the key properties of 2-(5-chlorofuran-2-yl)-2,4-dimethyl-1,3-oxazolidine;hydrochloride?
2-(5-chlorofuran-2-yl)-2,4-dimethyl-1,3-oxazolidine;hydrochloride has a molecular weight of 238.11 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorofuran-2-yl)-2,4-dimethyl-1,3-oxazolidine;hydrochloride is sourced from PubChem (CID 117228177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).