2-nitro-4,5-diphenyl-1,3-oxazole

C15H10N2O3 — CID 12873125

IUPAC2-nitro-4,5-diphenyl-1,3-oxazole
SMILESO=[N+]([O-])c1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C15H10N2O3/c18-17(19)15-16-13(11-7-3-1-4-8-11)14(20-15)12-9-5-2-6-10-12/h1-10H
InChIKeyVTEBZKGRVQUIPC-UHFFFAOYSA-N
MW266.26 g/mol
LogP3.92
Rot. Bonds3

About 2-nitro-4,5-diphenyl-1,3-oxazole

2-nitro-4,5-diphenyl-1,3-oxazole (PubChem CID 12873125) has the molecular formula C15H10N2O3 and a molecular weight of 266.26 g/mol. Its IUPAC name is 2-nitro-4,5-diphenyl-1,3-oxazole.

Molecular Properties

Compound Name2-nitro-4,5-diphenyl-1,3-oxazole
PubChem CID12873125
Molecular FormulaC15H10N2O3
Molecular Weight266.26 g/mol
Exact Mass266.07
IUPAC Name2-nitro-4,5-diphenyl-1,3-oxazole
SMILESO=[N+]([O-])c1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C15H10N2O3/c18-17(19)15-16-13(11-7-3-1-4-8-11)14(20-15)12-9-5-2-6-10-12/h1-10H
InChIKeyVTEBZKGRVQUIPC-UHFFFAOYSA-N
XLogP3.92
TPSA69.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.26
LogP ≤ 53.92
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 2-nitro-4,5-diphenyl-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

Related Compounds

4-nitro-3,5-diphenyl-1,2-oxazole
CID 5023418
2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-5-nitrobenzoic acid
CID 5140026
2-[[4-(4-nitrophenyl)piperazin-1-yl]methyl]-4,5-diphenyl-1,3-oxazole
CID 126494855
2-(furan-2-yl)-4,5-diphenyl-1,3-oxazole
CID 71740870
2-(difluoromethyl)-4,5-diphenyl-1,3-oxazole
CID 18701609
2-chloro-5-(4-chlorophenyl)-4-(4-nitrophenyl)-1,3-oxazole
CID 21408768
2-methyl-5-(4-methylsulfonylphenyl)-4-phenyl-1,3-oxazole
CID 10041271
2-[cyclopentyl-(4,5-diphenyl-1,3-oxazole-2-carbonyl)amino]acetic acid
CID 170715983
5-(4-fluorophenyl)-4-nitro-3-phenyl-1,2-oxazole
CID 71337544
5-methyl-2-(4-nitrophenyl)-4-phenyl-1,3-oxazole
CID 57465372
4,5-bis(4-methoxyphenyl)-1,3-oxazole-2-carboxylic acid
CID 141107611
3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoic acid
CID 4614

Frequently Asked Questions

What is the IUPAC name of 2-nitro-4,5-diphenyl-1,3-oxazole?
The IUPAC name of 2-nitro-4,5-diphenyl-1,3-oxazole (CID 12873125) is 2-nitro-4,5-diphenyl-1,3-oxazole.
What is the SMILES notation for 2-nitro-4,5-diphenyl-1,3-oxazole?
The canonical SMILES for 2-nitro-4,5-diphenyl-1,3-oxazole is O=[N+]([O-])c1nc(-c2ccccc2)c(-c2ccccc2)o1.
What is the InChIKey of 2-nitro-4,5-diphenyl-1,3-oxazole?
The InChIKey is VTEBZKGRVQUIPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10N2O3/c18-17(19)15-16-13(11-7-3-1-4-8-11)14(20-15)12-9-5-2-6-10-12/h1-10H.
What are the key properties of 2-nitro-4,5-diphenyl-1,3-oxazole?
2-nitro-4,5-diphenyl-1,3-oxazole has a molecular weight of 266.26 g/mol, XLogP of 3.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-nitro-4,5-diphenyl-1,3-oxazole is sourced from PubChem (CID 12873125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).