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

C7H8ClNOS — CID 117225747

IUPAC2-(5-chlorothiophen-2-yl)-1,3-oxazolidine
SMILESClc1ccc(C2NCCO2)s1
InChIInChI=1S/C7H8ClNOS/c8-6-2-1-5(11-6)7-9-3-4-10-7/h1-2,7,9H,3-4H2
InChIKeyQZTOMXOMIPAZTN-UHFFFAOYSA-N
MW189.67 g/mol
LogP2.02
Rot. Bonds1

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

2-(5-chlorothiophen-2-yl)-1,3-oxazolidine (PubChem CID 117225747) has the molecular formula C7H8ClNOS and a molecular weight of 189.67 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-1,3-oxazolidine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-1,3-oxazolidine
PubChem CID117225747
Molecular FormulaC7H8ClNOS
Molecular Weight189.67 g/mol
Exact Mass189.00
IUPAC Name2-(5-chlorothiophen-2-yl)-1,3-oxazolidine
SMILESClc1ccc(C2NCCO2)s1
InChIInChI=1S/C7H8ClNOS/c8-6-2-1-5(11-6)7-9-3-4-10-7/h1-2,7,9H,3-4H2
InChIKeyQZTOMXOMIPAZTN-UHFFFAOYSA-N
XLogP2.02
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.67
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-chlorothiophen-2-yl)-1,3-oxazolidine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-1,3-oxazolidine (CID 117225747) is 2-(5-chlorothiophen-2-yl)-1,3-oxazolidine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-1,3-oxazolidine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-1,3-oxazolidine is Clc1ccc(C2NCCO2)s1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-1,3-oxazolidine?
The InChIKey is QZTOMXOMIPAZTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8ClNOS/c8-6-2-1-5(11-6)7-9-3-4-10-7/h1-2,7,9H,3-4H2.
What are the key properties of 2-(5-chlorothiophen-2-yl)-1,3-oxazolidine?
2-(5-chlorothiophen-2-yl)-1,3-oxazolidine has a molecular weight of 189.67 g/mol, XLogP of 2.02, 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)-1,3-oxazolidine is sourced from PubChem (CID 117225747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).