2-[(3R)-3-phenylpentanoyl]-1,3-oxazolidine-2-carbaldehyde

C15H19NO3 — CID 174526489

IUPAC2-[(3R)-3-phenylpentanoyl]-1,3-oxazolidine-2-carbaldehyde
SMILESCC[C@H](CC(=O)C1(C=O)NCCO1)c1ccccc1
InChIInChI=1S/C15H19NO3/c1-2-12(13-6-4-3-5-7-13)10-14(18)15(11-17)16-8-9-19-15/h3-7,11-12,16H,2,8-10H2,1H3/t12-,15?/m1/s1
InChIKeyAJOYBLBJQXSXIS-KEKZHRQWSA-N
MW261.32 g/mol
LogP1.65
Rot. Bonds6

About 2-[(3R)-3-phenylpentanoyl]-1,3-oxazolidine-2-carbaldehyde

2-[(3R)-3-phenylpentanoyl]-1,3-oxazolidine-2-carbaldehyde (PubChem CID 174526489) has the molecular formula C15H19NO3 and a molecular weight of 261.32 g/mol. Its IUPAC name is 2-[(3R)-3-phenylpentanoyl]-1,3-oxazolidine-2-carbaldehyde.

Molecular Properties

Compound Name2-[(3R)-3-phenylpentanoyl]-1,3-oxazolidine-2-carbaldehyde
PubChem CID174526489
Molecular FormulaC15H19NO3
Molecular Weight261.32 g/mol
Exact Mass261.14
IUPAC Name2-[(3R)-3-phenylpentanoyl]-1,3-oxazolidine-2-carbaldehyde
SMILESCC[C@H](CC(=O)C1(C=O)NCCO1)c1ccccc1
InChIInChI=1S/C15H19NO3/c1-2-12(13-6-4-3-5-7-13)10-14(18)15(11-17)16-8-9-19-15/h3-7,11-12,16H,2,8-10H2,1H3/t12-,15?/m1/s1
InChIKeyAJOYBLBJQXSXIS-KEKZHRQWSA-N
XLogP1.65
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-3-phenylpentanoyl]-1,3-oxazolidine-2-carbaldehyde?
The IUPAC name of 2-[(3R)-3-phenylpentanoyl]-1,3-oxazolidine-2-carbaldehyde (CID 174526489) is 2-[(3R)-3-phenylpentanoyl]-1,3-oxazolidine-2-carbaldehyde.
What is the SMILES notation for 2-[(3R)-3-phenylpentanoyl]-1,3-oxazolidine-2-carbaldehyde?
The canonical SMILES for 2-[(3R)-3-phenylpentanoyl]-1,3-oxazolidine-2-carbaldehyde is CC[C@H](CC(=O)C1(C=O)NCCO1)c1ccccc1.
What is the InChIKey of 2-[(3R)-3-phenylpentanoyl]-1,3-oxazolidine-2-carbaldehyde?
The InChIKey is AJOYBLBJQXSXIS-KEKZHRQWSA-N. The full InChI is InChI=1S/C15H19NO3/c1-2-12(13-6-4-3-5-7-13)10-14(18)15(11-17)16-8-9-19-15/h3-7,11-12,16H,2,8-10H2,1H3/t12-,15?/m1/s1.
What are the key properties of 2-[(3R)-3-phenylpentanoyl]-1,3-oxazolidine-2-carbaldehyde?
2-[(3R)-3-phenylpentanoyl]-1,3-oxazolidine-2-carbaldehyde has a molecular weight of 261.32 g/mol, XLogP of 1.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-3-phenylpentanoyl]-1,3-oxazolidine-2-carbaldehyde is sourced from PubChem (CID 174526489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).