(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbaldehyde

C11H11NO3 — CID 10774601

IUPAC(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbaldehyde
SMILESO=CN1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C11H11NO3/c13-8-12-10(7-15-11(12)14)6-9-4-2-1-3-5-9/h1-5,8,10H,6-7H2/t10-/m1/s1
InChIKeyUODUAYSQQJSKOS-SNVBAGLBSA-N
MW205.21 g/mol
LogP1.21
Rot. Bonds3

About (4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbaldehyde

(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbaldehyde (PubChem CID 10774601) has the molecular formula C11H11NO3 and a molecular weight of 205.21 g/mol. Its IUPAC name is (4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbaldehyde.

Molecular Properties

Compound Name(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbaldehyde
PubChem CID10774601
Molecular FormulaC11H11NO3
Molecular Weight205.21 g/mol
Exact Mass205.07
IUPAC Name(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbaldehyde
SMILESO=CN1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C11H11NO3/c13-8-12-10(7-15-11(12)14)6-9-4-2-1-3-5-9/h1-5,8,10H,6-7H2/t10-/m1/s1
InChIKeyUODUAYSQQJSKOS-SNVBAGLBSA-N
XLogP1.21
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.21
LogP ≤ 51.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4S)-4-benzyl-3-[(E)-2-phenylethenyl]-1,3-oxazolidin-2-one
CID 26790195
(4R)-4-benzyl-3-methyl-1,3-oxazolidin-2-one
CID 14836208
(4R)-4-benzyl-3-[(E)-1-hydroxyprop-1-enyl]-1,3-oxazolidin-2-one
CID 100990536
2-(4-benzyl-2-oxo-1,3-oxazolidin-3-yl)acetic acid
CID 82372064
(4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one
CID 735929
(4S)-4-benzyl-3-propyl-1,3-oxazolidin-2-one
CID 155294169
4-benzyl-3-(1-phenylethyl)-1,3-oxazolidin-2-one
CID 68997353
4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 15597771
(4S)-4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 11130206
(4R)-4-benzyl-3-[(1R)-1-sulfanylethyl]-1,3-oxazolidin-2-one
CID 139924961
(4R)-4-benzyl-3-(1-sulfanylethyl)-1,3-oxazolidin-2-one
CID 170024134
(4S)-4-benzyl-3-tert-butylsulfanyl-1,3-oxazolidin-2-one
CID 15668312

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbaldehyde?
The IUPAC name of (4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbaldehyde (CID 10774601) is (4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbaldehyde.
What is the SMILES notation for (4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbaldehyde?
The canonical SMILES for (4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbaldehyde is O=CN1C(=O)OC[C@H]1Cc1ccccc1.
What is the InChIKey of (4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbaldehyde?
The InChIKey is UODUAYSQQJSKOS-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H11NO3/c13-8-12-10(7-15-11(12)14)6-9-4-2-1-3-5-9/h1-5,8,10H,6-7H2/t10-/m1/s1.
What are the key properties of (4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbaldehyde?
(4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbaldehyde has a molecular weight of 205.21 g/mol, XLogP of 1.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-2-oxo-1,3-oxazolidine-3-carbaldehyde is sourced from PubChem (CID 10774601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).