3-methyl-5-(4-nitrophenyl)-1,2-selenazole

C10H8N2O2Se — CID 14343208

IUPAC3-methyl-5-(4-nitrophenyl)-1,2-selenazole
SMILESCc1cc(-c2ccc([N+](=O)[O-])cc2)[se]n1
InChIInChI=1S/C10H8N2O2Se/c1-7-6-10(15-11-7)8-2-4-9(5-3-8)12(13)14/h2-6H,1H3
InChIKeyVAOAYLQIHOLTFB-UHFFFAOYSA-N
MW267.15 g/mol
LogP2.02
Rot. Bonds2

About 3-methyl-5-(4-nitrophenyl)-1,2-selenazole

3-methyl-5-(4-nitrophenyl)-1,2-selenazole (PubChem CID 14343208) has the molecular formula C10H8N2O2Se and a molecular weight of 267.15 g/mol. Its IUPAC name is 3-methyl-5-(4-nitrophenyl)-1,2-selenazole.

Molecular Properties

Compound Name3-methyl-5-(4-nitrophenyl)-1,2-selenazole
PubChem CID14343208
Molecular FormulaC10H8N2O2Se
Molecular Weight267.15 g/mol
Exact Mass267.98
IUPAC Name3-methyl-5-(4-nitrophenyl)-1,2-selenazole
SMILESCc1cc(-c2ccc([N+](=O)[O-])cc2)[se]n1
InChIInChI=1S/C10H8N2O2Se/c1-7-6-10(15-11-7)8-2-4-9(5-3-8)12(13)14/h2-6H,1H3
InChIKeyVAOAYLQIHOLTFB-UHFFFAOYSA-N
XLogP2.02
TPSA56.03 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.15
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-Methyl-4-phenylfuroxan
CID 12219475
4-Methyl-2-oxo-3-phenyl-1,2,5lambda~5~-oxadiazole
CID 13144102
1-(4-nitrophenyl)-N-phenylethanimine
CID 641178
(E)-N-[1-(4-Nitrophenyl)ethylidene]hydroxylamine
CID 5397449
3-(4-Nitrophenyl)-4-(trifluoromethyl)-1,2,5-oxadiazole
CID 11821295
4-(4-Nitrophenyl)-1,2,3-selenadiazole
CID 4386498
Nzpjhzhdwughdo-uhfffaoysa-
CID 11416609
4-(4-Nitrophenyl)-2-phenyl-1,3-selenazole
CID 11484289
Daywidftylfupd-uhfffaoysa-
CID 21577533
2-Cyclohexyl-4-(4-nitrophenyl)-1,3-selenazole
CID 85978241
2-Methyl-4-(4-nitrophenyl)-1,3-selenazole
CID 85978244
Ethanone, 1-(4-nitrophenyl)-, oxime
CID 722086

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(4-nitrophenyl)-1,2-selenazole?
The IUPAC name of 3-methyl-5-(4-nitrophenyl)-1,2-selenazole (CID 14343208) is 3-methyl-5-(4-nitrophenyl)-1,2-selenazole.
What is the SMILES notation for 3-methyl-5-(4-nitrophenyl)-1,2-selenazole?
The canonical SMILES for 3-methyl-5-(4-nitrophenyl)-1,2-selenazole is Cc1cc(-c2ccc([N+](=O)[O-])cc2)[se]n1.
What is the InChIKey of 3-methyl-5-(4-nitrophenyl)-1,2-selenazole?
The InChIKey is VAOAYLQIHOLTFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8N2O2Se/c1-7-6-10(15-11-7)8-2-4-9(5-3-8)12(13)14/h2-6H,1H3.
What are the key properties of 3-methyl-5-(4-nitrophenyl)-1,2-selenazole?
3-methyl-5-(4-nitrophenyl)-1,2-selenazole has a molecular weight of 267.15 g/mol, XLogP of 2.02, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(4-nitrophenyl)-1,2-selenazole is sourced from PubChem (CID 14343208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).