2-(3-nitrophenyl)-[1,3]oxazolo[5,4-b]pyridine

C12H7N3O3 — CID 14401275

IUPAC2-(3-nitrophenyl)-[1,3]oxazolo[5,4-b]pyridine
SMILESO=[N+]([O-])c1cccc(-c2nc3cccnc3o2)c1
InChIInChI=1S/C12H7N3O3/c16-15(17)9-4-1-3-8(7-9)11-14-10-5-2-6-13-12(10)18-11/h1-7H
InChIKeyJSKGGWSIAXAUAE-UHFFFAOYSA-N
MW241.21 g/mol
LogP2.80
Rot. Bonds2

About 2-(3-nitrophenyl)-[1,3]oxazolo[5,4-b]pyridine

2-(3-nitrophenyl)-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 14401275) has the molecular formula C12H7N3O3 and a molecular weight of 241.21 g/mol. Its IUPAC name is 2-(3-nitrophenyl)-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name2-(3-nitrophenyl)-[1,3]oxazolo[5,4-b]pyridine
PubChem CID14401275
Molecular FormulaC12H7N3O3
Molecular Weight241.21 g/mol
Exact Mass241.05
IUPAC Name2-(3-nitrophenyl)-[1,3]oxazolo[5,4-b]pyridine
SMILESO=[N+]([O-])c1cccc(-c2nc3cccnc3o2)c1
InChIInChI=1S/C12H7N3O3/c16-15(17)9-4-1-3-8(7-9)11-14-10-5-2-6-13-12(10)18-11/h1-7H
InChIKeyJSKGGWSIAXAUAE-UHFFFAOYSA-N
XLogP2.80
TPSA82.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.21
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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Related Compounds

2-(3-nitrophenyl)-[1,3]oxazolo[5,4-c]pyridine
CID 59680369
5-bromo-2-(3-nitrophenyl)-1,3-benzoxazole
CID 177345342
7-chloro-2-(3-nitrophenyl)-[1,3]oxazolo[5,4-d]pyrimidine;methanamine
CID 158563316
2-(3,5-dinitrophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 21205474
2,3-bis(3-nitrophenyl)quinoxaline
CID 71350595
2-fluoro-3-(3-nitrophenyl)pyridine
CID 125425503
5-methyl-2-(3-nitrophenyl)-1,3-oxazole-4-carboxylic acid
CID 62232635
4-(3-nitrophenyl)-2,6-dipyridin-2-ylpyridine
CID 12990785
5-(3-nitrophenyl)-1,2,4-oxadiazol-3-amine
CID 63692611
2-(4-methylphenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 785031
2-(3-chlorophenyl)-5-(3-nitrophenyl)-1,3,4-oxadiazole
CID 2806323
8-methyl-2-(3-nitrophenyl)-3,1-benzoxazin-4-one
CID 728392

Frequently Asked Questions

What is the IUPAC name of 2-(3-nitrophenyl)-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 2-(3-nitrophenyl)-[1,3]oxazolo[5,4-b]pyridine (CID 14401275) is 2-(3-nitrophenyl)-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 2-(3-nitrophenyl)-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 2-(3-nitrophenyl)-[1,3]oxazolo[5,4-b]pyridine is O=[N+]([O-])c1cccc(-c2nc3cccnc3o2)c1.
What is the InChIKey of 2-(3-nitrophenyl)-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is JSKGGWSIAXAUAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N3O3/c16-15(17)9-4-1-3-8(7-9)11-14-10-5-2-6-13-12(10)18-11/h1-7H.
What are the key properties of 2-(3-nitrophenyl)-[1,3]oxazolo[5,4-b]pyridine?
2-(3-nitrophenyl)-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 241.21 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-nitrophenyl)-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 14401275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).