5-methylidene-3-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one

C9H9NO2S — CID 164676148

IUPAC5-methylidene-3-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one
SMILESC=C1CN(Cc2cccs2)C(=O)O1
InChIInChI=1S/C9H9NO2S/c1-7-5-10(9(11)12-7)6-8-3-2-4-13-8/h2-4H,1,5-6H2
InChIKeyGSHFQKKVQWJXAY-UHFFFAOYSA-N
MW195.24 g/mol
LogP2.21
Rot. Bonds2

About 5-methylidene-3-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one

5-methylidene-3-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one (PubChem CID 164676148) has the molecular formula C9H9NO2S and a molecular weight of 195.24 g/mol. Its IUPAC name is 5-methylidene-3-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-methylidene-3-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one
PubChem CID164676148
Molecular FormulaC9H9NO2S
Molecular Weight195.24 g/mol
Exact Mass195.04
IUPAC Name5-methylidene-3-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one
SMILESC=C1CN(Cc2cccs2)C(=O)O1
InChIInChI=1S/C9H9NO2S/c1-7-5-10(9(11)12-7)6-8-3-2-4-13-8/h2-4H,1,5-6H2
InChIKeyGSHFQKKVQWJXAY-UHFFFAOYSA-N
XLogP2.21
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.24
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methylidene-3-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-methylidene-3-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one (CID 164676148) is 5-methylidene-3-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-methylidene-3-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-methylidene-3-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one is C=C1CN(Cc2cccs2)C(=O)O1.
What is the InChIKey of 5-methylidene-3-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one?
The InChIKey is GSHFQKKVQWJXAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9NO2S/c1-7-5-10(9(11)12-7)6-8-3-2-4-13-8/h2-4H,1,5-6H2.
What are the key properties of 5-methylidene-3-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one?
5-methylidene-3-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one has a molecular weight of 195.24 g/mol, XLogP of 2.21, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylidene-3-(thiophen-2-ylmethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 164676148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).