2-(3-nitrophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole

C15H12N2O3 — CID 16654933

IUPAC2-(3-nitrophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESO=[N+]([O-])c1cccc(C2=NC(c3ccccc3)CO2)c1
InChIInChI=1S/C15H12N2O3/c18-17(19)13-8-4-7-12(9-13)15-16-14(10-20-15)11-5-2-1-3-6-11/h1-9,14H,10H2
InChIKeyCWEUOFZYWXGAGU-UHFFFAOYSA-N
MW268.27 g/mol
LogP3.11
Rot. Bonds3

About 2-(3-nitrophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole

2-(3-nitrophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole (PubChem CID 16654933) has the molecular formula C15H12N2O3 and a molecular weight of 268.27 g/mol. Its IUPAC name is 2-(3-nitrophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

Compound Name2-(3-nitrophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
PubChem CID16654933
Molecular FormulaC15H12N2O3
Molecular Weight268.27 g/mol
Exact Mass268.08
IUPAC Name2-(3-nitrophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole
SMILESO=[N+]([O-])c1cccc(C2=NC(c3ccccc3)CO2)c1
InChIInChI=1S/C15H12N2O3/c18-17(19)13-8-4-7-12(9-13)15-16-14(10-20-15)11-5-2-1-3-6-11/h1-9,14H,10H2
InChIKeyCWEUOFZYWXGAGU-UHFFFAOYSA-N
XLogP3.11
TPSA64.73 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.27
LogP ≤ 53.11
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'}

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Frequently Asked Questions

What is the IUPAC name of 2-(3-nitrophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole?
The IUPAC name of 2-(3-nitrophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole (CID 16654933) is 2-(3-nitrophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole.
What is the SMILES notation for 2-(3-nitrophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole?
The canonical SMILES for 2-(3-nitrophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole is O=[N+]([O-])c1cccc(C2=NC(c3ccccc3)CO2)c1.
What is the InChIKey of 2-(3-nitrophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole?
The InChIKey is CWEUOFZYWXGAGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O3/c18-17(19)13-8-4-7-12(9-13)15-16-14(10-20-15)11-5-2-1-3-6-11/h1-9,14H,10H2.
What are the key properties of 2-(3-nitrophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole?
2-(3-nitrophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 268.27 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitrophenyl)-4-phenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 16654933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).