5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-3-phenyl-1,3-oxazolidin-2-one

C13H14N2O4 — CID 117063703

IUPAC5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-3-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CC1CN(c2ccccc2)C(=O)O1
InChIInChI=1S/C13H14N2O4/c16-12-14(6-7-18-12)8-11-9-15(13(17)19-11)10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyCIXQYVCZPGXWRM-UHFFFAOYSA-N
MW262.26 g/mol
LogP1.46
Rot. Bonds3

About 5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-3-phenyl-1,3-oxazolidin-2-one

5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-3-phenyl-1,3-oxazolidin-2-one (PubChem CID 117063703) has the molecular formula C13H14N2O4 and a molecular weight of 262.26 g/mol. Its IUPAC name is 5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-3-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-3-phenyl-1,3-oxazolidin-2-one
PubChem CID117063703
Molecular FormulaC13H14N2O4
Molecular Weight262.26 g/mol
Exact Mass262.10
IUPAC Name5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-3-phenyl-1,3-oxazolidin-2-one
SMILESO=C1OCCN1CC1CN(c2ccccc2)C(=O)O1
InChIInChI=1S/C13H14N2O4/c16-12-14(6-7-18-12)8-11-9-15(13(17)19-11)10-4-2-1-3-5-10/h1-5,11H,6-9H2
InChIKeyCIXQYVCZPGXWRM-UHFFFAOYSA-N
XLogP1.46
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.26
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-3-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of 5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-3-phenyl-1,3-oxazolidin-2-one (CID 117063703) is 5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-3-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-3-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-3-phenyl-1,3-oxazolidin-2-one is O=C1OCCN1CC1CN(c2ccccc2)C(=O)O1.
What is the InChIKey of 5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-3-phenyl-1,3-oxazolidin-2-one?
The InChIKey is CIXQYVCZPGXWRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O4/c16-12-14(6-7-18-12)8-11-9-15(13(17)19-11)10-4-2-1-3-5-10/h1-5,11H,6-9H2.
What are the key properties of 5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-3-phenyl-1,3-oxazolidin-2-one?
5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-3-phenyl-1,3-oxazolidin-2-one has a molecular weight of 262.26 g/mol, XLogP of 1.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-oxo-1,3-oxazolidin-3-yl)methyl]-3-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 117063703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).