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

C11H10ClNO2 — CID 134918442

IUPAC(4R)-3-(4-chlorophenyl)-4-ethenyl-1,3-oxazolidin-2-one
SMILESC=C[C@@H]1COC(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C11H10ClNO2/c1-2-9-7-15-11(14)13(9)10-5-3-8(12)4-6-10/h2-6,9H,1,7H2/t9-/m1/s1
InChIKeySCOBFQJTRUCHLA-SECBINFHSA-N
MW223.66 g/mol
LogP2.85
Rot. Bonds2

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

(4R)-3-(4-chlorophenyl)-4-ethenyl-1,3-oxazolidin-2-one (PubChem CID 134918442) has the molecular formula C11H10ClNO2 and a molecular weight of 223.66 g/mol. Its IUPAC name is (4R)-3-(4-chlorophenyl)-4-ethenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-(4-chlorophenyl)-4-ethenyl-1,3-oxazolidin-2-one
PubChem CID134918442
Molecular FormulaC11H10ClNO2
Molecular Weight223.66 g/mol
Exact Mass223.04
IUPAC Name(4R)-3-(4-chlorophenyl)-4-ethenyl-1,3-oxazolidin-2-one
SMILESC=C[C@@H]1COC(=O)N1c1ccc(Cl)cc1
InChIInChI=1S/C11H10ClNO2/c1-2-9-7-15-11(14)13(9)10-5-3-8(12)4-6-10/h2-6,9H,1,7H2/t9-/m1/s1
InChIKeySCOBFQJTRUCHLA-SECBINFHSA-N
XLogP2.85
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.66
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-(3-chloro-4-fluorophenyl)-4-ethenyl-1,3-oxazolidin-2-one
CID 10586207
(4S)-4-ethenyl-3-phenyl-1,3-oxazolidin-2-one
CID 129362731
(4S)-3-(4-chlorophenyl)-4-[(4S)-3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]-1,3-oxazolidin-2-one
CID 11429301
3-(4-chlorophenyl)-4-methyl-1,3-oxazolidin-2-one
CID 14268537
(4S)-3-(4-chlorophenyl)-4-(3-phenoxyphenyl)-1,3-oxazolidin-2-one
CID 59485641
methyl 3-(4-chlorophenyl)-2-oxo-1,3-oxazinane-4-carboxylate
CID 24976381
methyl 4-[[3-(4-chlorophenyl)-2-oxo-1,3-oxazolidin-4-yl]methoxy]benzoate
CID 18997214
(4S)-3-[4-(4-chlorophenoxy)phenyl]-4-[3-fluoro-5-(trifluoromethyl)phenyl]-1,3-oxazolidin-2-one;methanol
CID 143702684
3-(2-chloropyrimidin-4-yl)-4-(2-methylprop-1-enyl)-1,3-oxazolidin-2-one
CID 123414615
3-(3H-benzimidazol-5-yl)-4-(4-chlorophenyl)-1,3-oxazolidin-2-one
CID 67036274
(3S)-1-(4-chlorophenyl)-3-prop-2-enylpyrrolidine-2,5-dione
CID 6925610
4-nitro-3-phenyl-1,3-oxazolidin-2-one
CID 54515958

Frequently Asked Questions

What is the IUPAC name of (4R)-3-(4-chlorophenyl)-4-ethenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-(4-chlorophenyl)-4-ethenyl-1,3-oxazolidin-2-one (CID 134918442) is (4R)-3-(4-chlorophenyl)-4-ethenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-(4-chlorophenyl)-4-ethenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-(4-chlorophenyl)-4-ethenyl-1,3-oxazolidin-2-one is C=C[C@@H]1COC(=O)N1c1ccc(Cl)cc1.
What is the InChIKey of (4R)-3-(4-chlorophenyl)-4-ethenyl-1,3-oxazolidin-2-one?
The InChIKey is SCOBFQJTRUCHLA-SECBINFHSA-N. The full InChI is InChI=1S/C11H10ClNO2/c1-2-9-7-15-11(14)13(9)10-5-3-8(12)4-6-10/h2-6,9H,1,7H2/t9-/m1/s1.
What are the key properties of (4R)-3-(4-chlorophenyl)-4-ethenyl-1,3-oxazolidin-2-one?
(4R)-3-(4-chlorophenyl)-4-ethenyl-1,3-oxazolidin-2-one has a molecular weight of 223.66 g/mol, XLogP of 2.85, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-(4-chlorophenyl)-4-ethenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 134918442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).