2-(5-chlorothiophen-2-yl)-4,4-dimethyl-1,3-oxazolidine

C9H12ClNOS — CID 117228170

IUPAC2-(5-chlorothiophen-2-yl)-4,4-dimethyl-1,3-oxazolidine
SMILESCC1(C)COC(c2ccc(Cl)s2)N1
InChIInChI=1S/C9H12ClNOS/c1-9(2)5-12-8(11-9)6-3-4-7(10)13-6/h3-4,8,11H,5H2,1-2H3
InChIKeyZCOPAZRJVDTTCD-UHFFFAOYSA-N
MW217.72 g/mol
LogP2.80
Rot. Bonds1

About 2-(5-chlorothiophen-2-yl)-4,4-dimethyl-1,3-oxazolidine

2-(5-chlorothiophen-2-yl)-4,4-dimethyl-1,3-oxazolidine (PubChem CID 117228170) has the molecular formula C9H12ClNOS and a molecular weight of 217.72 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-4,4-dimethyl-1,3-oxazolidine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-4,4-dimethyl-1,3-oxazolidine
PubChem CID117228170
Molecular FormulaC9H12ClNOS
Molecular Weight217.72 g/mol
Exact Mass217.03
IUPAC Name2-(5-chlorothiophen-2-yl)-4,4-dimethyl-1,3-oxazolidine
SMILESCC1(C)COC(c2ccc(Cl)s2)N1
InChIInChI=1S/C9H12ClNOS/c1-9(2)5-12-8(11-9)6-3-4-7(10)13-6/h3-4,8,11H,5H2,1-2H3
InChIKeyZCOPAZRJVDTTCD-UHFFFAOYSA-N
XLogP2.80
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.72
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(5-bromothiophen-2-yl)-4,4-dimethyl-1,3-oxazolidine;hydrochloride
CID 117228171
2-(5-chlorothiophen-2-yl)-1,3-oxazolidine
CID 117225747
4-(4,4-dimethyl-1,3-oxazolidin-2-yl)phenol
CID 82111994
2-(5-bromothiophen-2-yl)-5,5-dimethyl-1,3-oxazinane
CID 117226749
2-(2-methoxyphenyl)-4,4-dimethyl-1,3-oxazolidine
CID 82112973
3-(5-chlorothiophen-2-yl)-2-ethyl-2-methylcyclobutan-1-amine
CID 81416251
3-(4,4-dimethyl-1,3-oxazolidin-2-yl)phenol;hydrochloride
CID 117228463
(4S,5S)-5-(5-chlorothiophen-2-yl)-4-methyl-1,3-oxazolidin-2-one
CID 67066013
7-(5-chlorothiophen-2-yl)-1-methyl-1,4-diazepane
CID 130117727
2-chloro-5-(2-methylidenecyclopropyl)thiophene
CID 123448045
2-(5-chlorothiophen-2-yl)-2,5,5-trimethyl-1,3-oxazolidine
CID 117228975
2-(3-chlorophenyl)-3,5,5-trimethylmorpholine
CID 43366940

Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-4,4-dimethyl-1,3-oxazolidine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-4,4-dimethyl-1,3-oxazolidine (CID 117228170) is 2-(5-chlorothiophen-2-yl)-4,4-dimethyl-1,3-oxazolidine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-4,4-dimethyl-1,3-oxazolidine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-4,4-dimethyl-1,3-oxazolidine is CC1(C)COC(c2ccc(Cl)s2)N1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-4,4-dimethyl-1,3-oxazolidine?
The InChIKey is ZCOPAZRJVDTTCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClNOS/c1-9(2)5-12-8(11-9)6-3-4-7(10)13-6/h3-4,8,11H,5H2,1-2H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-4,4-dimethyl-1,3-oxazolidine?
2-(5-chlorothiophen-2-yl)-4,4-dimethyl-1,3-oxazolidine has a molecular weight of 217.72 g/mol, XLogP of 2.80, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chlorothiophen-2-yl)-4,4-dimethyl-1,3-oxazolidine is sourced from PubChem (CID 117228170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).