(5R)-2-oxo-3-[(3-propan-2-ylphenyl)methyl]-1,3-oxazolidine-5-carbaldehyde

C14H17NO3 — CID 86620493

IUPAC(5R)-2-oxo-3-[(3-propan-2-ylphenyl)methyl]-1,3-oxazolidine-5-carbaldehyde
SMILESCC(C)c1cccc(CN2C[C@H](C=O)OC2=O)c1
InChIInChI=1S/C14H17NO3/c1-10(2)12-5-3-4-11(6-12)7-15-8-13(9-16)18-14(15)17/h3-6,9-10,13H,7-8H2,1-2H3/t13-/m1/s1
InChIKeyFRZRYFQYGNJGNG-CYBMUJFWSA-N
MW247.29 g/mol
LogP2.33
Rot. Bonds4

About (5R)-2-oxo-3-[(3-propan-2-ylphenyl)methyl]-1,3-oxazolidine-5-carbaldehyde

(5R)-2-oxo-3-[(3-propan-2-ylphenyl)methyl]-1,3-oxazolidine-5-carbaldehyde (PubChem CID 86620493) has the molecular formula C14H17NO3 and a molecular weight of 247.29 g/mol. Its IUPAC name is (5R)-2-oxo-3-[(3-propan-2-ylphenyl)methyl]-1,3-oxazolidine-5-carbaldehyde.

Molecular Properties

Compound Name(5R)-2-oxo-3-[(3-propan-2-ylphenyl)methyl]-1,3-oxazolidine-5-carbaldehyde
PubChem CID86620493
Molecular FormulaC14H17NO3
Molecular Weight247.29 g/mol
Exact Mass247.12
IUPAC Name(5R)-2-oxo-3-[(3-propan-2-ylphenyl)methyl]-1,3-oxazolidine-5-carbaldehyde
SMILESCC(C)c1cccc(CN2C[C@H](C=O)OC2=O)c1
InChIInChI=1S/C14H17NO3/c1-10(2)12-5-3-4-11(6-12)7-15-8-13(9-16)18-14(15)17/h3-6,9-10,13H,7-8H2,1-2H3/t13-/m1/s1
InChIKeyFRZRYFQYGNJGNG-CYBMUJFWSA-N
XLogP2.33
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.29
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (5R)-2-oxo-3-[(3-propan-2-ylphenyl)methyl]-1,3-oxazolidine-5-carbaldehyde?
The IUPAC name of (5R)-2-oxo-3-[(3-propan-2-ylphenyl)methyl]-1,3-oxazolidine-5-carbaldehyde (CID 86620493) is (5R)-2-oxo-3-[(3-propan-2-ylphenyl)methyl]-1,3-oxazolidine-5-carbaldehyde.
What is the SMILES notation for (5R)-2-oxo-3-[(3-propan-2-ylphenyl)methyl]-1,3-oxazolidine-5-carbaldehyde?
The canonical SMILES for (5R)-2-oxo-3-[(3-propan-2-ylphenyl)methyl]-1,3-oxazolidine-5-carbaldehyde is CC(C)c1cccc(CN2C[C@H](C=O)OC2=O)c1.
What is the InChIKey of (5R)-2-oxo-3-[(3-propan-2-ylphenyl)methyl]-1,3-oxazolidine-5-carbaldehyde?
The InChIKey is FRZRYFQYGNJGNG-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H17NO3/c1-10(2)12-5-3-4-11(6-12)7-15-8-13(9-16)18-14(15)17/h3-6,9-10,13H,7-8H2,1-2H3/t13-/m1/s1.
What are the key properties of (5R)-2-oxo-3-[(3-propan-2-ylphenyl)methyl]-1,3-oxazolidine-5-carbaldehyde?
(5R)-2-oxo-3-[(3-propan-2-ylphenyl)methyl]-1,3-oxazolidine-5-carbaldehyde has a molecular weight of 247.29 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-2-oxo-3-[(3-propan-2-ylphenyl)methyl]-1,3-oxazolidine-5-carbaldehyde is sourced from PubChem (CID 86620493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).