[3-[2-(1,3-oxazolidin-2-yl)phenyl]oxiran-2-ylidene]methanone

C12H11NO3 — CID 57034026

IUPAC[3-[2-(1,3-oxazolidin-2-yl)phenyl]oxiran-2-ylidene]methanone
SMILESO=C=C1OC1c1ccccc1C1NCCO1
InChIInChI=1S/C12H11NO3/c14-7-10-11(16-10)8-3-1-2-4-9(8)12-13-5-6-15-12/h1-4,11-13H,5-6H2
InChIKeyVUBHARVNVISTTD-UHFFFAOYSA-N
MW217.22 g/mol
LogP1.09
Rot. Bonds2

About [3-[2-(1,3-oxazolidin-2-yl)phenyl]oxiran-2-ylidene]methanone

[3-[2-(1,3-oxazolidin-2-yl)phenyl]oxiran-2-ylidene]methanone (PubChem CID 57034026) has the molecular formula C12H11NO3 and a molecular weight of 217.22 g/mol. Its IUPAC name is [3-[2-(1,3-oxazolidin-2-yl)phenyl]oxiran-2-ylidene]methanone.

Molecular Properties

Compound Name[3-[2-(1,3-oxazolidin-2-yl)phenyl]oxiran-2-ylidene]methanone
PubChem CID57034026
Molecular FormulaC12H11NO3
Molecular Weight217.22 g/mol
Exact Mass217.07
IUPAC Name[3-[2-(1,3-oxazolidin-2-yl)phenyl]oxiran-2-ylidene]methanone
SMILESO=C=C1OC1c1ccccc1C1NCCO1
InChIInChI=1S/C12H11NO3/c14-7-10-11(16-10)8-3-1-2-4-9(8)12-13-5-6-15-12/h1-4,11-13H,5-6H2
InChIKeyVUBHARVNVISTTD-UHFFFAOYSA-N
XLogP1.09
TPSA50.86 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.22
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ketene', 'substructure': 'N/A'}, {'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [3-[2-(1,3-oxazolidin-2-yl)phenyl]oxiran-2-ylidene]methanone?
The IUPAC name of [3-[2-(1,3-oxazolidin-2-yl)phenyl]oxiran-2-ylidene]methanone (CID 57034026) is [3-[2-(1,3-oxazolidin-2-yl)phenyl]oxiran-2-ylidene]methanone.
What is the SMILES notation for [3-[2-(1,3-oxazolidin-2-yl)phenyl]oxiran-2-ylidene]methanone?
The canonical SMILES for [3-[2-(1,3-oxazolidin-2-yl)phenyl]oxiran-2-ylidene]methanone is O=C=C1OC1c1ccccc1C1NCCO1.
What is the InChIKey of [3-[2-(1,3-oxazolidin-2-yl)phenyl]oxiran-2-ylidene]methanone?
The InChIKey is VUBHARVNVISTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO3/c14-7-10-11(16-10)8-3-1-2-4-9(8)12-13-5-6-15-12/h1-4,11-13H,5-6H2.
What are the key properties of [3-[2-(1,3-oxazolidin-2-yl)phenyl]oxiran-2-ylidene]methanone?
[3-[2-(1,3-oxazolidin-2-yl)phenyl]oxiran-2-ylidene]methanone has a molecular weight of 217.22 g/mol, XLogP of 1.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(1,3-oxazolidin-2-yl)phenyl]oxiran-2-ylidene]methanone is sourced from PubChem (CID 57034026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).