4-(3-chlorothiophen-2-yl)-1,3-oxazolidin-2-one

C7H6ClNO2S — CID 130148770

IUPAC4-(3-chlorothiophen-2-yl)-1,3-oxazolidin-2-one
SMILESO=C1NC(c2sccc2Cl)CO1
InChIInChI=1S/C7H6ClNO2S/c8-4-1-2-12-6(4)5-3-11-7(10)9-5/h1-2,5H,3H2,(H,9,10)
InChIKeyAXURHLLOKHRIKC-UHFFFAOYSA-N
MW203.65 g/mol
LogP2.18
Rot. Bonds1

About 4-(3-chlorothiophen-2-yl)-1,3-oxazolidin-2-one

4-(3-chlorothiophen-2-yl)-1,3-oxazolidin-2-one (PubChem CID 130148770) has the molecular formula C7H6ClNO2S and a molecular weight of 203.65 g/mol. Its IUPAC name is 4-(3-chlorothiophen-2-yl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-(3-chlorothiophen-2-yl)-1,3-oxazolidin-2-one
PubChem CID130148770
Molecular FormulaC7H6ClNO2S
Molecular Weight203.65 g/mol
Exact Mass202.98
IUPAC Name4-(3-chlorothiophen-2-yl)-1,3-oxazolidin-2-one
SMILESO=C1NC(c2sccc2Cl)CO1
InChIInChI=1S/C7H6ClNO2S/c8-4-1-2-12-6(4)5-3-11-7(10)9-5/h1-2,5H,3H2,(H,9,10)
InChIKeyAXURHLLOKHRIKC-UHFFFAOYSA-N
XLogP2.18
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.65
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(4S)-4-(3-bromothiophen-2-yl)-1,3-oxazolidin-2-one
CID 130116570
(4R)-4-(2,3,6-trichlorophenyl)-1,3-oxazolidin-2-one
CID 171184657
(4S)-4-(2,6-dichlorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183694
(4S)-4-(2,5-dichlorophenyl)-1,3-oxazolidin-2-one
CID 131128673
(3R)-3-(3-chlorothiophen-2-yl)morpholine
CID 96860760
(4R)-4-(3,5-dichloro-4-pyridinyl)-1,3-oxazolidin-2-one
CID 130613625
(4S)-4-(5-chlorofuran-2-yl)-1,3-oxazolidin-2-one
CID 130692441
(4R)-4-(3-methylthiophen-2-yl)-1,3-oxazinan-2-one
CID 130665628
(4S)-4-(3-bromo-4-chlorophenyl)-1,3-oxazolidin-2-one
CID 130067478
4-(3-chloro-4-methylphenyl)-1,3-oxazolidin-2-one
CID 106819070
(4S)-4-(3-bromo-4-chlorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171183833
(4R)-4-(2-chloro-5-fluorophenyl)-1,3-oxazolidin-2-one;hydrochloride
CID 171184397

Frequently Asked Questions

What is the IUPAC name of 4-(3-chlorothiophen-2-yl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-(3-chlorothiophen-2-yl)-1,3-oxazolidin-2-one (CID 130148770) is 4-(3-chlorothiophen-2-yl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-(3-chlorothiophen-2-yl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-(3-chlorothiophen-2-yl)-1,3-oxazolidin-2-one is O=C1NC(c2sccc2Cl)CO1.
What is the InChIKey of 4-(3-chlorothiophen-2-yl)-1,3-oxazolidin-2-one?
The InChIKey is AXURHLLOKHRIKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6ClNO2S/c8-4-1-2-12-6(4)5-3-11-7(10)9-5/h1-2,5H,3H2,(H,9,10).
What are the key properties of 4-(3-chlorothiophen-2-yl)-1,3-oxazolidin-2-one?
4-(3-chlorothiophen-2-yl)-1,3-oxazolidin-2-one has a molecular weight of 203.65 g/mol, XLogP of 2.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-chlorothiophen-2-yl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 130148770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).