2,5,5-trimethyl-2-thiophen-2-yl-1,3-oxazolidine

C10H15NOS — CID 117228973

IUPAC2,5,5-trimethyl-2-thiophen-2-yl-1,3-oxazolidine
SMILESCC1(C)CNC(C)(c2cccs2)O1
InChIInChI=1S/C10H15NOS/c1-9(2)7-11-10(3,12-9)8-5-4-6-13-8/h4-6,11H,7H2,1-3H3
InChIKeyXOWHYSNPQUYBCM-UHFFFAOYSA-N
MW197.30 g/mol
LogP2.32
Rot. Bonds1

About 2,5,5-trimethyl-2-thiophen-2-yl-1,3-oxazolidine

2,5,5-trimethyl-2-thiophen-2-yl-1,3-oxazolidine (PubChem CID 117228973) has the molecular formula C10H15NOS and a molecular weight of 197.30 g/mol. Its IUPAC name is 2,5,5-trimethyl-2-thiophen-2-yl-1,3-oxazolidine.

Molecular Properties

Compound Name2,5,5-trimethyl-2-thiophen-2-yl-1,3-oxazolidine
PubChem CID117228973
Molecular FormulaC10H15NOS
Molecular Weight197.30 g/mol
Exact Mass197.09
IUPAC Name2,5,5-trimethyl-2-thiophen-2-yl-1,3-oxazolidine
SMILESCC1(C)CNC(C)(c2cccs2)O1
InChIInChI=1S/C10H15NOS/c1-9(2)7-11-10(3,12-9)8-5-4-6-13-8/h4-6,11H,7H2,1-3H3
InChIKeyXOWHYSNPQUYBCM-UHFFFAOYSA-N
XLogP2.32
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5,5-trimethyl-2-thiophen-2-yl-1,3-oxazolidine?
The IUPAC name of 2,5,5-trimethyl-2-thiophen-2-yl-1,3-oxazolidine (CID 117228973) is 2,5,5-trimethyl-2-thiophen-2-yl-1,3-oxazolidine.
What is the SMILES notation for 2,5,5-trimethyl-2-thiophen-2-yl-1,3-oxazolidine?
The canonical SMILES for 2,5,5-trimethyl-2-thiophen-2-yl-1,3-oxazolidine is CC1(C)CNC(C)(c2cccs2)O1.
What is the InChIKey of 2,5,5-trimethyl-2-thiophen-2-yl-1,3-oxazolidine?
The InChIKey is XOWHYSNPQUYBCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15NOS/c1-9(2)7-11-10(3,12-9)8-5-4-6-13-8/h4-6,11H,7H2,1-3H3.
What are the key properties of 2,5,5-trimethyl-2-thiophen-2-yl-1,3-oxazolidine?
2,5,5-trimethyl-2-thiophen-2-yl-1,3-oxazolidine has a molecular weight of 197.30 g/mol, XLogP of 2.32, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,5-trimethyl-2-thiophen-2-yl-1,3-oxazolidine is sourced from PubChem (CID 117228973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).