(4R,5R)-5-ethenyl-4-(4-methoxyphenyl)-1,3-oxazolidin-2-one

C12H13NO3 — CID 10878645

IUPAC(4R,5R)-5-ethenyl-4-(4-methoxyphenyl)-1,3-oxazolidin-2-one
SMILESC=C[C@H]1OC(=O)N[C@@H]1c1ccc(OC)cc1
InChIInChI=1S/C12H13NO3/c1-3-10-11(13-12(14)16-10)8-4-6-9(15-2)7-5-8/h3-7,10-11H,1H2,2H3,(H,13,14)/t10-,11-/m1/s1
InChIKeyDOFMANRUKKLSMG-GHMZBOCLSA-N
MW219.24 g/mol
LogP2.03
Rot. Bonds3

About (4R,5R)-5-ethenyl-4-(4-methoxyphenyl)-1,3-oxazolidin-2-one

(4R,5R)-5-ethenyl-4-(4-methoxyphenyl)-1,3-oxazolidin-2-one (PubChem CID 10878645) has the molecular formula C12H13NO3 and a molecular weight of 219.24 g/mol. Its IUPAC name is (4R,5R)-5-ethenyl-4-(4-methoxyphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-5-ethenyl-4-(4-methoxyphenyl)-1,3-oxazolidin-2-one
PubChem CID10878645
Molecular FormulaC12H13NO3
Molecular Weight219.24 g/mol
Exact Mass219.09
IUPAC Name(4R,5R)-5-ethenyl-4-(4-methoxyphenyl)-1,3-oxazolidin-2-one
SMILESC=C[C@H]1OC(=O)N[C@@H]1c1ccc(OC)cc1
InChIInChI=1S/C12H13NO3/c1-3-10-11(13-12(14)16-10)8-4-6-9(15-2)7-5-8/h3-7,10-11H,1H2,2H3,(H,13,14)/t10-,11-/m1/s1
InChIKeyDOFMANRUKKLSMG-GHMZBOCLSA-N
XLogP2.03
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.24
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-ethenyl-4-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5R)-5-ethenyl-4-(4-methoxyphenyl)-1,3-oxazolidin-2-one (CID 10878645) is (4R,5R)-5-ethenyl-4-(4-methoxyphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5R)-5-ethenyl-4-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5R)-5-ethenyl-4-(4-methoxyphenyl)-1,3-oxazolidin-2-one is C=C[C@H]1OC(=O)N[C@@H]1c1ccc(OC)cc1.
What is the InChIKey of (4R,5R)-5-ethenyl-4-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
The InChIKey is DOFMANRUKKLSMG-GHMZBOCLSA-N. The full InChI is InChI=1S/C12H13NO3/c1-3-10-11(13-12(14)16-10)8-4-6-9(15-2)7-5-8/h3-7,10-11H,1H2,2H3,(H,13,14)/t10-,11-/m1/s1.
What are the key properties of (4R,5R)-5-ethenyl-4-(4-methoxyphenyl)-1,3-oxazolidin-2-one?
(4R,5R)-5-ethenyl-4-(4-methoxyphenyl)-1,3-oxazolidin-2-one has a molecular weight of 219.24 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-ethenyl-4-(4-methoxyphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 10878645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).