(2S,4S)-2-anthracen-9-yl-4-benzyl-3-methyl-1,3-oxazolidine

C25H23NO — CID 11991291

IUPAC(2S,4S)-2-anthracen-9-yl-4-benzyl-3-methyl-1,3-oxazolidine
SMILESCN1[C@@H](Cc2ccccc2)CO[C@H]1c1c2ccccc2cc2ccccc12
InChIInChI=1S/C25H23NO/c1-26-21(15-18-9-3-2-4-10-18)17-27-25(26)24-22-13-7-5-11-19(22)16-20-12-6-8-14-23(20)24/h2-14,16,21,25H,15,17H2,1H3/t21-,25-/m0/s1
InChIKeyYUCGDSWHTSHFKO-OFVILXPXSA-N
MW353.47 g/mol
LogP5.56
Rot. Bonds3

About (2S,4S)-2-anthracen-9-yl-4-benzyl-3-methyl-1,3-oxazolidine

(2S,4S)-2-anthracen-9-yl-4-benzyl-3-methyl-1,3-oxazolidine (PubChem CID 11991291) has the molecular formula C25H23NO and a molecular weight of 353.47 g/mol. Its IUPAC name is (2S,4S)-2-anthracen-9-yl-4-benzyl-3-methyl-1,3-oxazolidine.

Molecular Properties

Compound Name(2S,4S)-2-anthracen-9-yl-4-benzyl-3-methyl-1,3-oxazolidine
PubChem CID11991291
Molecular FormulaC25H23NO
Molecular Weight353.47 g/mol
Exact Mass353.18
IUPAC Name(2S,4S)-2-anthracen-9-yl-4-benzyl-3-methyl-1,3-oxazolidine
SMILESCN1[C@@H](Cc2ccccc2)CO[C@H]1c1c2ccccc2cc2ccccc12
InChIInChI=1S/C25H23NO/c1-26-21(15-18-9-3-2-4-10-18)17-27-25(26)24-22-13-7-5-11-19(22)16-20-12-6-8-14-23(20)24/h2-14,16,21,25H,15,17H2,1H3/t21-,25-/m0/s1
InChIKeyYUCGDSWHTSHFKO-OFVILXPXSA-N
XLogP5.56
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500353.47
LogP ≤ 55.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_2', 'substructure': 'N/A'}

Analyze (2S,4S)-2-anthracen-9-yl-4-benzyl-3-methyl-1,3-oxazolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2S,4S)-2-anthracen-9-yl-4-benzyl-3-methyl-1,3-oxazolidine?
The IUPAC name of (2S,4S)-2-anthracen-9-yl-4-benzyl-3-methyl-1,3-oxazolidine (CID 11991291) is (2S,4S)-2-anthracen-9-yl-4-benzyl-3-methyl-1,3-oxazolidine.
What is the SMILES notation for (2S,4S)-2-anthracen-9-yl-4-benzyl-3-methyl-1,3-oxazolidine?
The canonical SMILES for (2S,4S)-2-anthracen-9-yl-4-benzyl-3-methyl-1,3-oxazolidine is CN1[C@@H](Cc2ccccc2)CO[C@H]1c1c2ccccc2cc2ccccc12.
What is the InChIKey of (2S,4S)-2-anthracen-9-yl-4-benzyl-3-methyl-1,3-oxazolidine?
The InChIKey is YUCGDSWHTSHFKO-OFVILXPXSA-N. The full InChI is InChI=1S/C25H23NO/c1-26-21(15-18-9-3-2-4-10-18)17-27-25(26)24-22-13-7-5-11-19(22)16-20-12-6-8-14-23(20)24/h2-14,16,21,25H,15,17H2,1H3/t21-,25-/m0/s1.
What are the key properties of (2S,4S)-2-anthracen-9-yl-4-benzyl-3-methyl-1,3-oxazolidine?
(2S,4S)-2-anthracen-9-yl-4-benzyl-3-methyl-1,3-oxazolidine has a molecular weight of 353.47 g/mol, XLogP of 5.56, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-2-anthracen-9-yl-4-benzyl-3-methyl-1,3-oxazolidine is sourced from PubChem (CID 11991291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).