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

C9H8N2O3 — CID 57308875

IUPAC3-(2-nitrophenyl)-2,5-dihydro-1,2-oxazole
SMILESO=[N+]([O-])c1ccccc1C1=CCON1
InChIInChI=1S/C9H8N2O3/c12-11(13)9-4-2-1-3-7(9)8-5-6-14-10-8/h1-5,10H,6H2
InChIKeySHHNBIHKOLTISF-UHFFFAOYSA-N
MW192.17 g/mol
LogP1.47
Rot. Bonds2

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

3-(2-nitrophenyl)-2,5-dihydro-1,2-oxazole (PubChem CID 57308875) has the molecular formula C9H8N2O3 and a molecular weight of 192.17 g/mol. Its IUPAC name is 3-(2-nitrophenyl)-2,5-dihydro-1,2-oxazole.

Molecular Properties

Compound Name3-(2-nitrophenyl)-2,5-dihydro-1,2-oxazole
PubChem CID57308875
Molecular FormulaC9H8N2O3
Molecular Weight192.17 g/mol
Exact Mass192.05
IUPAC Name3-(2-nitrophenyl)-2,5-dihydro-1,2-oxazole
SMILESO=[N+]([O-])c1ccccc1C1=CCON1
InChIInChI=1S/C9H8N2O3/c12-11(13)9-4-2-1-3-7(9)8-5-6-14-10-8/h1-5,10H,6H2
InChIKeySHHNBIHKOLTISF-UHFFFAOYSA-N
XLogP1.47
TPSA64.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.17
LogP ≤ 51.47
H-Bond Donors ≤ 51
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 3-(2-nitrophenyl)-2,5-dihydro-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

Related Compounds

2-Nitrotoluene
CID 6944
2-Methyl-5-Nitroaniline
CID 7444
4-Methyl-3-nitroaniline
CID 8390
2-Methyl-4-nitroaniline
CID 7441
2-Methyl-3-nitroaniline
CID 11783
Benzene, 1,1'-(1,2-ethenediyl)bis(2-nitro-
CID 5704852
2-Ethyl-5-nitroaniline
CID 4155478
2-Propen-1-ol, 3-(4-nitrophenyl)-
CID 5462894
2-Nitrocinnamaldehyde
CID 5367122
4-Nitro-m-toluidine
CID 11898
1-Ethyl-2-nitrobenzene
CID 69156
1-Nitro-2-propylbenzene
CID 138939

Frequently Asked Questions

What is the IUPAC name of 3-(2-nitrophenyl)-2,5-dihydro-1,2-oxazole?
The IUPAC name of 3-(2-nitrophenyl)-2,5-dihydro-1,2-oxazole (CID 57308875) is 3-(2-nitrophenyl)-2,5-dihydro-1,2-oxazole.
What is the SMILES notation for 3-(2-nitrophenyl)-2,5-dihydro-1,2-oxazole?
The canonical SMILES for 3-(2-nitrophenyl)-2,5-dihydro-1,2-oxazole is O=[N+]([O-])c1ccccc1C1=CCON1.
What is the InChIKey of 3-(2-nitrophenyl)-2,5-dihydro-1,2-oxazole?
The InChIKey is SHHNBIHKOLTISF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2O3/c12-11(13)9-4-2-1-3-7(9)8-5-6-14-10-8/h1-5,10H,6H2.
What are the key properties of 3-(2-nitrophenyl)-2,5-dihydro-1,2-oxazole?
3-(2-nitrophenyl)-2,5-dihydro-1,2-oxazole has a molecular weight of 192.17 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-nitrophenyl)-2,5-dihydro-1,2-oxazole is sourced from PubChem (CID 57308875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).