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

C10H14ClNOS — CID 117228975

IUPAC2-(5-chlorothiophen-2-yl)-2,5,5-trimethyl-1,3-oxazolidine
SMILESCC1(C)CNC(C)(c2ccc(Cl)s2)O1
InChIInChI=1S/C10H14ClNOS/c1-9(2)6-12-10(3,13-9)7-4-5-8(11)14-7/h4-5,12H,6H2,1-3H3
InChIKeyDAUVVUYEFZFFJD-UHFFFAOYSA-N
MW231.75 g/mol
LogP2.97
Rot. Bonds1

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

2-(5-chlorothiophen-2-yl)-2,5,5-trimethyl-1,3-oxazolidine (PubChem CID 117228975) has the molecular formula C10H14ClNOS and a molecular weight of 231.75 g/mol. Its IUPAC name is 2-(5-chlorothiophen-2-yl)-2,5,5-trimethyl-1,3-oxazolidine.

Molecular Properties

Compound Name2-(5-chlorothiophen-2-yl)-2,5,5-trimethyl-1,3-oxazolidine
PubChem CID117228975
Molecular FormulaC10H14ClNOS
Molecular Weight231.75 g/mol
Exact Mass231.05
IUPAC Name2-(5-chlorothiophen-2-yl)-2,5,5-trimethyl-1,3-oxazolidine
SMILESCC1(C)CNC(C)(c2ccc(Cl)s2)O1
InChIInChI=1S/C10H14ClNOS/c1-9(2)6-12-10(3,13-9)7-4-5-8(11)14-7/h4-5,12H,6H2,1-3H3
InChIKeyDAUVVUYEFZFFJD-UHFFFAOYSA-N
XLogP2.97
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.75
LogP ≤ 52.97
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)-2,5,5-trimethyl-1,3-oxazolidine?
The IUPAC name of 2-(5-chlorothiophen-2-yl)-2,5,5-trimethyl-1,3-oxazolidine (CID 117228975) is 2-(5-chlorothiophen-2-yl)-2,5,5-trimethyl-1,3-oxazolidine.
What is the SMILES notation for 2-(5-chlorothiophen-2-yl)-2,5,5-trimethyl-1,3-oxazolidine?
The canonical SMILES for 2-(5-chlorothiophen-2-yl)-2,5,5-trimethyl-1,3-oxazolidine is CC1(C)CNC(C)(c2ccc(Cl)s2)O1.
What is the InChIKey of 2-(5-chlorothiophen-2-yl)-2,5,5-trimethyl-1,3-oxazolidine?
The InChIKey is DAUVVUYEFZFFJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14ClNOS/c1-9(2)6-12-10(3,13-9)7-4-5-8(11)14-7/h4-5,12H,6H2,1-3H3.
What are the key properties of 2-(5-chlorothiophen-2-yl)-2,5,5-trimethyl-1,3-oxazolidine?
2-(5-chlorothiophen-2-yl)-2,5,5-trimethyl-1,3-oxazolidine has a molecular weight of 231.75 g/mol, XLogP of 2.97, 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)-2,5,5-trimethyl-1,3-oxazolidine is sourced from PubChem (CID 117228975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).