(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidine-5-carbaldehyde

C14H14N2O5 — CID 125342451

IUPAC(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidine-5-carbaldehyde
SMILESO=C[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1
InChIInChI=1S/C14H14N2O5/c17-8-12-7-16(14(19)21-12)11-3-1-10(2-4-11)15-5-6-20-9-13(15)18/h1-4,8,12H,5-7,9H2/t12-/m1/s1
InChIKeyUCLGSDDPMNXDBW-GFCCVEGCSA-N
MW290.28 g/mol
LogP0.57
Rot. Bonds3

About (5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidine-5-carbaldehyde

(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidine-5-carbaldehyde (PubChem CID 125342451) has the molecular formula C14H14N2O5 and a molecular weight of 290.28 g/mol. Its IUPAC name is (5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidine-5-carbaldehyde.

Molecular Properties

Compound Name(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidine-5-carbaldehyde
PubChem CID125342451
Molecular FormulaC14H14N2O5
Molecular Weight290.28 g/mol
Exact Mass290.09
IUPAC Name(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidine-5-carbaldehyde
SMILESO=C[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1
InChIInChI=1S/C14H14N2O5/c17-8-12-7-16(14(19)21-12)11-3-1-10(2-4-11)15-5-6-20-9-13(15)18/h1-4,8,12H,5-7,9H2/t12-/m1/s1
InChIKeyUCLGSDDPMNXDBW-GFCCVEGCSA-N
XLogP0.57
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.28
LogP ≤ 50.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidine-5-carbaldehyde?
The IUPAC name of (5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidine-5-carbaldehyde (CID 125342451) is (5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidine-5-carbaldehyde.
What is the SMILES notation for (5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidine-5-carbaldehyde?
The canonical SMILES for (5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidine-5-carbaldehyde is O=C[C@H]1CN(c2ccc(N3CCOCC3=O)cc2)C(=O)O1.
What is the InChIKey of (5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidine-5-carbaldehyde?
The InChIKey is UCLGSDDPMNXDBW-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H14N2O5/c17-8-12-7-16(14(19)21-12)11-3-1-10(2-4-11)15-5-6-20-9-13(15)18/h1-4,8,12H,5-7,9H2/t12-/m1/s1.
What are the key properties of (5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidine-5-carbaldehyde?
(5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidine-5-carbaldehyde has a molecular weight of 290.28 g/mol, XLogP of 0.57, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-oxo-3-[4-(3-oxomorpholin-4-yl)phenyl]-1,3-oxazolidine-5-carbaldehyde is sourced from PubChem (CID 125342451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).