(4S)-5,5-dimethyl-4-nitro-3-phenyl-4H-1,2-oxazole

C11H12N2O3 — CID 7348293

IUPAC(4S)-5,5-dimethyl-4-nitro-3-phenyl-4H-1,2-oxazole
SMILESCC1(C)ON=C(c2ccccc2)[C@@H]1[N+](=O)[O-]
InChIInChI=1S/C11H12N2O3/c1-11(2)10(13(14)15)9(12-16-11)8-6-4-3-5-7-8/h3-7,10H,1-2H3/t10-/m0/s1
InChIKeyQFENGDMXCZZCNK-JTQLQIEISA-N
MW220.23 g/mol
LogP1.84
Rot. Bonds2

About (4S)-5,5-dimethyl-4-nitro-3-phenyl-4H-1,2-oxazole

(4S)-5,5-dimethyl-4-nitro-3-phenyl-4H-1,2-oxazole (PubChem CID 7348293) has the molecular formula C11H12N2O3 and a molecular weight of 220.23 g/mol. Its IUPAC name is (4S)-5,5-dimethyl-4-nitro-3-phenyl-4H-1,2-oxazole.

Molecular Properties

Compound Name(4S)-5,5-dimethyl-4-nitro-3-phenyl-4H-1,2-oxazole
PubChem CID7348293
Molecular FormulaC11H12N2O3
Molecular Weight220.23 g/mol
Exact Mass220.08
IUPAC Name(4S)-5,5-dimethyl-4-nitro-3-phenyl-4H-1,2-oxazole
SMILESCC1(C)ON=C(c2ccccc2)[C@@H]1[N+](=O)[O-]
InChIInChI=1S/C11H12N2O3/c1-11(2)10(13(14)15)9(12-16-11)8-6-4-3-5-7-8/h3-7,10H,1-2H3/t10-/m0/s1
InChIKeyQFENGDMXCZZCNK-JTQLQIEISA-N
XLogP1.84
TPSA64.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.23
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (4S)-5,5-dimethyl-4-nitro-3-phenyl-4H-1,2-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)-5,5-dimethyl-4-nitro-3-phenyl-4H-1,2-oxazole?
The IUPAC name of (4S)-5,5-dimethyl-4-nitro-3-phenyl-4H-1,2-oxazole (CID 7348293) is (4S)-5,5-dimethyl-4-nitro-3-phenyl-4H-1,2-oxazole.
What is the SMILES notation for (4S)-5,5-dimethyl-4-nitro-3-phenyl-4H-1,2-oxazole?
The canonical SMILES for (4S)-5,5-dimethyl-4-nitro-3-phenyl-4H-1,2-oxazole is CC1(C)ON=C(c2ccccc2)[C@@H]1[N+](=O)[O-].
What is the InChIKey of (4S)-5,5-dimethyl-4-nitro-3-phenyl-4H-1,2-oxazole?
The InChIKey is QFENGDMXCZZCNK-JTQLQIEISA-N. The full InChI is InChI=1S/C11H12N2O3/c1-11(2)10(13(14)15)9(12-16-11)8-6-4-3-5-7-8/h3-7,10H,1-2H3/t10-/m0/s1.
What are the key properties of (4S)-5,5-dimethyl-4-nitro-3-phenyl-4H-1,2-oxazole?
(4S)-5,5-dimethyl-4-nitro-3-phenyl-4H-1,2-oxazole has a molecular weight of 220.23 g/mol, XLogP of 1.84, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-5,5-dimethyl-4-nitro-3-phenyl-4H-1,2-oxazole is sourced from PubChem (CID 7348293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).