(3S,5S)-2-benzyl-3-(2-fluorophenyl)-5-methyl-1,2-oxazolidine-5-carbaldehyde

C18H18FNO2 — CID 102430239

IUPAC(3S,5S)-2-benzyl-3-(2-fluorophenyl)-5-methyl-1,2-oxazolidine-5-carbaldehyde
SMILESC[C@@]1(C=O)C[C@@H](c2ccccc2F)N(Cc2ccccc2)O1
InChIInChI=1S/C18H18FNO2/c1-18(13-21)11-17(15-9-5-6-10-16(15)19)20(22-18)12-14-7-3-2-4-8-14/h2-10,13,17H,11-12H2,1H3/t17-,18-/m0/s1
InChIKeyAFSGTTGLEKHPNA-ROUUACIJSA-N
MW299.35 g/mol
LogP3.66
Rot. Bonds4

About (3S,5S)-2-benzyl-3-(2-fluorophenyl)-5-methyl-1,2-oxazolidine-5-carbaldehyde

(3S,5S)-2-benzyl-3-(2-fluorophenyl)-5-methyl-1,2-oxazolidine-5-carbaldehyde (PubChem CID 102430239) has the molecular formula C18H18FNO2 and a molecular weight of 299.35 g/mol. Its IUPAC name is (3S,5S)-2-benzyl-3-(2-fluorophenyl)-5-methyl-1,2-oxazolidine-5-carbaldehyde.

Molecular Properties

Compound Name(3S,5S)-2-benzyl-3-(2-fluorophenyl)-5-methyl-1,2-oxazolidine-5-carbaldehyde
PubChem CID102430239
Molecular FormulaC18H18FNO2
Molecular Weight299.35 g/mol
Exact Mass299.13
IUPAC Name(3S,5S)-2-benzyl-3-(2-fluorophenyl)-5-methyl-1,2-oxazolidine-5-carbaldehyde
SMILESC[C@@]1(C=O)C[C@@H](c2ccccc2F)N(Cc2ccccc2)O1
InChIInChI=1S/C18H18FNO2/c1-18(13-21)11-17(15-9-5-6-10-16(15)19)20(22-18)12-14-7-3-2-4-8-14/h2-10,13,17H,11-12H2,1H3/t17-,18-/m0/s1
InChIKeyAFSGTTGLEKHPNA-ROUUACIJSA-N
XLogP3.66
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 53.66
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

2-benzyl-3,3-dimethyl-1H-isoindole-1-carbaldehyde
CID 174540012
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CID 170430014
2-(2-fluorophenyl)-1-methylcyclopropane-1-carboxylic acid
CID 82112065
1-benzyl-4,4-dimethylpyrrolidine-2-carbaldehyde
CID 174872704
(1-benzyl-4,4-dimethylazetidin-2-yl) formate;(1-benzyl-4,4-dimethylazetidin-2-yl)methanol
CID 164957374
(4E,5S)-1-benzyl-5-(2-fluorophenyl)-4-[hydroxy(phenyl)methylidene]pyrrolidine-2,3-dione
CID 5456857
methyl (3R,5S)-2-benzyl-5-formyl-5-methyl-3-propyl-1,2-oxazolidine-3-carboxylate
CID 102337656
1-benzyl-7-fluoro-3-hydroxy-3H-indol-2-one
CID 71725717
N-benzyl-2-(2-fluorophenyl)-5,5-dimethylmorpholine-4-carboxamide
CID 110368936
N-benzyl-2-[3-(2-fluorophenyl)-4-[(4-methylphenyl)methyl]-2,5-dioxopiperazin-1-yl]acetamide
CID 126479462
2-benzyl-7-bromo-1-(2-fluorophenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 3565473
3-(2-fluorophenyl)-2-methyl-1,2-oxazolidine
CID 129018500

Frequently Asked Questions

What is the IUPAC name of (3S,5S)-2-benzyl-3-(2-fluorophenyl)-5-methyl-1,2-oxazolidine-5-carbaldehyde?
The IUPAC name of (3S,5S)-2-benzyl-3-(2-fluorophenyl)-5-methyl-1,2-oxazolidine-5-carbaldehyde (CID 102430239) is (3S,5S)-2-benzyl-3-(2-fluorophenyl)-5-methyl-1,2-oxazolidine-5-carbaldehyde.
What is the SMILES notation for (3S,5S)-2-benzyl-3-(2-fluorophenyl)-5-methyl-1,2-oxazolidine-5-carbaldehyde?
The canonical SMILES for (3S,5S)-2-benzyl-3-(2-fluorophenyl)-5-methyl-1,2-oxazolidine-5-carbaldehyde is C[C@@]1(C=O)C[C@@H](c2ccccc2F)N(Cc2ccccc2)O1.
What is the InChIKey of (3S,5S)-2-benzyl-3-(2-fluorophenyl)-5-methyl-1,2-oxazolidine-5-carbaldehyde?
The InChIKey is AFSGTTGLEKHPNA-ROUUACIJSA-N. The full InChI is InChI=1S/C18H18FNO2/c1-18(13-21)11-17(15-9-5-6-10-16(15)19)20(22-18)12-14-7-3-2-4-8-14/h2-10,13,17H,11-12H2,1H3/t17-,18-/m0/s1.
What are the key properties of (3S,5S)-2-benzyl-3-(2-fluorophenyl)-5-methyl-1,2-oxazolidine-5-carbaldehyde?
(3S,5S)-2-benzyl-3-(2-fluorophenyl)-5-methyl-1,2-oxazolidine-5-carbaldehyde has a molecular weight of 299.35 g/mol, XLogP of 3.66, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,5S)-2-benzyl-3-(2-fluorophenyl)-5-methyl-1,2-oxazolidine-5-carbaldehyde is sourced from PubChem (CID 102430239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).