(4S)-4-benzyl-2-[3-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-5-nitrophenyl]-4,5-dihydro-1,3-oxazole

C26H23N3O4 — CID 15965653

IUPAC(4S)-4-benzyl-2-[3-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-5-nitrophenyl]-4,5-dihydro-1,3-oxazole
SMILESO=[N+]([O-])c1cc(C2=N[C@@H](Cc3ccccc3)CO2)cc(C2=N[C@@H](Cc3ccccc3)CO2)c1
InChIInChI=1S/C26H23N3O4/c30-29(31)24-14-20(25-27-22(16-32-25)11-18-7-3-1-4-8-18)13-21(15-24)26-28-23(17-33-26)12-19-9-5-2-6-10-19/h1-10,13-15,22-23H,11-12,16-17H2/t22-,23-/m0/s1
InChIKeyIWWPZPXNFCEESM-GOTSBHOMSA-N
MW441.49 g/mol
LogP4.37
Rot. Bonds7

About (4S)-4-benzyl-2-[3-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-5-nitrophenyl]-4,5-dihydro-1,3-oxazole

(4S)-4-benzyl-2-[3-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-5-nitrophenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 15965653) has the molecular formula C26H23N3O4 and a molecular weight of 441.49 g/mol. Its IUPAC name is (4S)-4-benzyl-2-[3-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-5-nitrophenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name(4S)-4-benzyl-2-[3-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-5-nitrophenyl]-4,5-dihydro-1,3-oxazole
PubChem CID15965653
Molecular FormulaC26H23N3O4
Molecular Weight441.49 g/mol
Exact Mass441.17
IUPAC Name(4S)-4-benzyl-2-[3-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-5-nitrophenyl]-4,5-dihydro-1,3-oxazole
SMILESO=[N+]([O-])c1cc(C2=N[C@@H](Cc3ccccc3)CO2)cc(C2=N[C@@H](Cc3ccccc3)CO2)c1
InChIInChI=1S/C26H23N3O4/c30-29(31)24-14-20(25-27-22(16-32-25)11-18-7-3-1-4-8-18)13-21(15-24)26-28-23(17-33-26)12-19-9-5-2-6-10-19/h1-10,13-15,22-23H,11-12,16-17H2/t22-,23-/m0/s1
InChIKeyIWWPZPXNFCEESM-GOTSBHOMSA-N
XLogP4.37
TPSA86.32 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (4S)-4-benzyl-2-[3-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-5-nitrophenyl]-4,5-dihydro-1,3-oxazole 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 (4S)-4-benzyl-2-[3-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-5-nitrophenyl]-4,5-dihydro-1,3-oxazole?
The IUPAC name of (4S)-4-benzyl-2-[3-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-5-nitrophenyl]-4,5-dihydro-1,3-oxazole (CID 15965653) is (4S)-4-benzyl-2-[3-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-5-nitrophenyl]-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for (4S)-4-benzyl-2-[3-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-5-nitrophenyl]-4,5-dihydro-1,3-oxazole?
The canonical SMILES for (4S)-4-benzyl-2-[3-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-5-nitrophenyl]-4,5-dihydro-1,3-oxazole is O=[N+]([O-])c1cc(C2=N[C@@H](Cc3ccccc3)CO2)cc(C2=N[C@@H](Cc3ccccc3)CO2)c1.
What is the InChIKey of (4S)-4-benzyl-2-[3-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-5-nitrophenyl]-4,5-dihydro-1,3-oxazole?
The InChIKey is IWWPZPXNFCEESM-GOTSBHOMSA-N. The full InChI is InChI=1S/C26H23N3O4/c30-29(31)24-14-20(25-27-22(16-32-25)11-18-7-3-1-4-8-18)13-21(15-24)26-28-23(17-33-26)12-19-9-5-2-6-10-19/h1-10,13-15,22-23H,11-12,16-17H2/t22-,23-/m0/s1.
What are the key properties of (4S)-4-benzyl-2-[3-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-5-nitrophenyl]-4,5-dihydro-1,3-oxazole?
(4S)-4-benzyl-2-[3-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-5-nitrophenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 441.49 g/mol, XLogP of 4.37, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-2-[3-[(4S)-4-benzyl-4,5-dihydro-1,3-oxazol-2-yl]-5-nitrophenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 15965653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).