(4R)-3-[(1Z)-buta-1,3-dienyl]-4-phenyl-1,3-oxazolidin-2-one

C13H13NO2 — CID 10965904

IUPAC(4R)-3-[(1Z)-buta-1,3-dienyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESC=C/C=C\N1C(=O)OC[C@H]1c1ccccc1
InChIInChI=1S/C13H13NO2/c1-2-3-9-14-12(10-16-13(14)15)11-7-5-4-6-8-11/h2-9,12H,1,10H2/b9-3-/t12-/m0/s1
InChIKeyFQAYNPFGYQICGC-PPFSTCQPSA-N
MW215.25 g/mol
LogP2.88
Rot. Bonds3

About (4R)-3-[(1Z)-buta-1,3-dienyl]-4-phenyl-1,3-oxazolidin-2-one

(4R)-3-[(1Z)-buta-1,3-dienyl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 10965904) has the molecular formula C13H13NO2 and a molecular weight of 215.25 g/mol. Its IUPAC name is (4R)-3-[(1Z)-buta-1,3-dienyl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(1Z)-buta-1,3-dienyl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID10965904
Molecular FormulaC13H13NO2
Molecular Weight215.25 g/mol
Exact Mass215.09
IUPAC Name(4R)-3-[(1Z)-buta-1,3-dienyl]-4-phenyl-1,3-oxazolidin-2-one
SMILESC=C/C=C\N1C(=O)OC[C@H]1c1ccccc1
InChIInChI=1S/C13H13NO2/c1-2-3-9-14-12(10-16-13(14)15)11-7-5-4-6-8-11/h2-9,12H,1,10H2/b9-3-/t12-/m0/s1
InChIKeyFQAYNPFGYQICGC-PPFSTCQPSA-N
XLogP2.88
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500215.25
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(4R)-4-phenyl-1,3-oxazolidin-2-one
CID 730425
2-Oxazolidinone, 4-phenyl-, (4S)-
CID 730424
(4S)-4-Benzyl-3-propanoyl-1,3-oxazolidin-2-one
CID 2733696
(S)-(+)-5,5-Dimethyl-4-phenyl-2-oxazolidinone
CID 2733820
(R)-(-)-5,5-Dimethyl-4-phenyl-2-oxazolidinone
CID 6950851
(4R)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134136675
3-[4-[Benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134150074
(4S)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134157470
4-Phenyloxazolidin-2-one
CID 349728
(4S)-3-[(2E)-But-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 5469245
5-Benzyl-3-methyl-1,3-oxazolidin-2-one
CID 3046888
(S)-(+)-3-Acetyl-4-benzyl-2-oxazolidinone
CID 735929

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(1Z)-buta-1,3-dienyl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(1Z)-buta-1,3-dienyl]-4-phenyl-1,3-oxazolidin-2-one (CID 10965904) is (4R)-3-[(1Z)-buta-1,3-dienyl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(1Z)-buta-1,3-dienyl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(1Z)-buta-1,3-dienyl]-4-phenyl-1,3-oxazolidin-2-one is C=C/C=C\N1C(=O)OC[C@H]1c1ccccc1.
What is the InChIKey of (4R)-3-[(1Z)-buta-1,3-dienyl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is FQAYNPFGYQICGC-PPFSTCQPSA-N. The full InChI is InChI=1S/C13H13NO2/c1-2-3-9-14-12(10-16-13(14)15)11-7-5-4-6-8-11/h2-9,12H,1,10H2/b9-3-/t12-/m0/s1.
What are the key properties of (4R)-3-[(1Z)-buta-1,3-dienyl]-4-phenyl-1,3-oxazolidin-2-one?
(4R)-3-[(1Z)-buta-1,3-dienyl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 215.25 g/mol, XLogP of 2.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(1Z)-buta-1,3-dienyl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10965904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).