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

C9H13NOS — CID 19930546

IUPAC2,2-dimethyl-5-thiophen-2-yl-1,3-oxazolidine
SMILESCC1(C)NCC(c2cccs2)O1
InChIInChI=1S/C9H13NOS/c1-9(2)10-6-7(11-9)8-4-3-5-12-8/h3-5,7,10H,6H2,1-2H3
InChIKeyVFXYOVMPHZCCJZ-UHFFFAOYSA-N
MW183.28 g/mol
LogP2.15
Rot. Bonds1

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

2,2-dimethyl-5-thiophen-2-yl-1,3-oxazolidine (PubChem CID 19930546) has the molecular formula C9H13NOS and a molecular weight of 183.28 g/mol. Its IUPAC name is 2,2-dimethyl-5-thiophen-2-yl-1,3-oxazolidine.

Molecular Properties

Compound Name2,2-dimethyl-5-thiophen-2-yl-1,3-oxazolidine
PubChem CID19930546
Molecular FormulaC9H13NOS
Molecular Weight183.28 g/mol
Exact Mass183.07
IUPAC Name2,2-dimethyl-5-thiophen-2-yl-1,3-oxazolidine
SMILESCC1(C)NCC(c2cccs2)O1
InChIInChI=1S/C9H13NOS/c1-9(2)10-6-7(11-9)8-4-3-5-12-8/h3-5,7,10H,6H2,1-2H3
InChIKeyVFXYOVMPHZCCJZ-UHFFFAOYSA-N
XLogP2.15
TPSA21.26 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 176778172
2-methyl-5-thiophen-2-yl-1,4-oxazepane
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2-methyl-3-thiophen-2-yloxirane-2-carboxylic acid
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2-thiophen-2-yl-3,4-dihydro-2H-furo[3,4-b][1,4]oxazine
CID 82377314
3-thiophen-2-ylpyrrolidine-2,5-dione
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2-(2,2-difluorocyclopropyl)thiophene
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Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyl-5-thiophen-2-yl-1,3-oxazolidine?
The IUPAC name of 2,2-dimethyl-5-thiophen-2-yl-1,3-oxazolidine (CID 19930546) is 2,2-dimethyl-5-thiophen-2-yl-1,3-oxazolidine.
What is the SMILES notation for 2,2-dimethyl-5-thiophen-2-yl-1,3-oxazolidine?
The canonical SMILES for 2,2-dimethyl-5-thiophen-2-yl-1,3-oxazolidine is CC1(C)NCC(c2cccs2)O1.
What is the InChIKey of 2,2-dimethyl-5-thiophen-2-yl-1,3-oxazolidine?
The InChIKey is VFXYOVMPHZCCJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13NOS/c1-9(2)10-6-7(11-9)8-4-3-5-12-8/h3-5,7,10H,6H2,1-2H3.
What are the key properties of 2,2-dimethyl-5-thiophen-2-yl-1,3-oxazolidine?
2,2-dimethyl-5-thiophen-2-yl-1,3-oxazolidine has a molecular weight of 183.28 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyl-5-thiophen-2-yl-1,3-oxazolidine is sourced from PubChem (CID 19930546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).