5-ethyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one

C12H13NO2 — CID 102474036

IUPAC5-ethyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one
SMILESC=C1C(CC)OC(=O)N1c1ccccc1
InChIInChI=1S/C12H13NO2/c1-3-11-9(2)13(12(14)15-11)10-7-5-4-6-8-10/h4-8,11H,2-3H2,1H3
InChIKeyBWISQSJQTOCQED-UHFFFAOYSA-N
MW203.24 g/mol
LogP2.94
Rot. Bonds2

About 5-ethyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one

5-ethyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one (PubChem CID 102474036) has the molecular formula C12H13NO2 and a molecular weight of 203.24 g/mol. Its IUPAC name is 5-ethyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-ethyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one
PubChem CID102474036
Molecular FormulaC12H13NO2
Molecular Weight203.24 g/mol
Exact Mass203.09
IUPAC Name5-ethyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one
SMILESC=C1C(CC)OC(=O)N1c1ccccc1
InChIInChI=1S/C12H13NO2/c1-3-11-9(2)13(12(14)15-11)10-7-5-4-6-8-10/h4-8,11H,2-3H2,1H3
InChIKeyBWISQSJQTOCQED-UHFFFAOYSA-N
XLogP2.94
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.24
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-ethyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one (CID 102474036) is 5-ethyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-ethyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-ethyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one is C=C1C(CC)OC(=O)N1c1ccccc1.
What is the InChIKey of 5-ethyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one?
The InChIKey is BWISQSJQTOCQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO2/c1-3-11-9(2)13(12(14)15-11)10-7-5-4-6-8-10/h4-8,11H,2-3H2,1H3.
What are the key properties of 5-ethyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one?
5-ethyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one has a molecular weight of 203.24 g/mol, XLogP of 2.94, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-methylidene-3-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 102474036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).