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

C12H7N3O3 — CID 59680062

IUPAC2-(4-nitrophenyl)-[1,3]oxazolo[5,4-c]pyridine
SMILESO=[N+]([O-])c1ccc(-c2nc3ccncc3o2)cc1
InChIInChI=1S/C12H7N3O3/c16-15(17)9-3-1-8(2-4-9)12-14-10-5-6-13-7-11(10)18-12/h1-7H
InChIKeyYNFOWUHSHDAMKD-UHFFFAOYSA-N
MW241.21 g/mol
LogP2.80
Rot. Bonds2

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

2-(4-nitrophenyl)-[1,3]oxazolo[5,4-c]pyridine (PubChem CID 59680062) has the molecular formula C12H7N3O3 and a molecular weight of 241.21 g/mol. Its IUPAC name is 2-(4-nitrophenyl)-[1,3]oxazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-(4-nitrophenyl)-[1,3]oxazolo[5,4-c]pyridine
PubChem CID59680062
Molecular FormulaC12H7N3O3
Molecular Weight241.21 g/mol
Exact Mass241.05
IUPAC Name2-(4-nitrophenyl)-[1,3]oxazolo[5,4-c]pyridine
SMILESO=[N+]([O-])c1ccc(-c2nc3ccncc3o2)cc1
InChIInChI=1S/C12H7N3O3/c16-15(17)9-3-1-8(2-4-9)12-14-10-5-6-13-7-11(10)18-12/h1-7H
InChIKeyYNFOWUHSHDAMKD-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
2-phenyl-[1,3]oxazolo[5,4-c]pyridine
CID 19979601
2-(5-nitrothiophen-2-yl)-[1,3]oxazolo[5,4-c]pyridine
CID 59679932
2-(4-nitrophenyl)-1,3-benzoxazol-5-amine
CID 14901574
2-(4-methoxyphenyl)-6-nitro-1,3-benzoxazole
CID 887499
2-(4-ethylphenyl)-6-nitro-1,3-benzoxazole
CID 25269604
N-[4-(1,3-benzoxazol-2-yl)phenyl]-1-(4-nitrophenyl)methanimine
CID 155545055
5-chloro-2-(4-nitrophenyl)-[1,3]oxazolo[5,4-b]pyridine
CID 89406475
6-nitro-2-(1,3-thiazol-5-yl)-1,3-benzoxazole
CID 71662777
1-[5-(4-nitrophenyl)furan-2-yl]-N-(2-pyridin-4-yl-1,3-benzoxazol-5-yl)methanimine
CID 5049071
2-(3-iodo-4-methylphenyl)-6-nitro-1,3-benzoxazole
CID 91675089
4-nitropyridine;hydrate
CID 132647818

Frequently Asked Questions

What is the IUPAC name of 2-(4-nitrophenyl)-[1,3]oxazolo[5,4-c]pyridine?
The IUPAC name of 2-(4-nitrophenyl)-[1,3]oxazolo[5,4-c]pyridine (CID 59680062) is 2-(4-nitrophenyl)-[1,3]oxazolo[5,4-c]pyridine.
What is the SMILES notation for 2-(4-nitrophenyl)-[1,3]oxazolo[5,4-c]pyridine?
The canonical SMILES for 2-(4-nitrophenyl)-[1,3]oxazolo[5,4-c]pyridine is O=[N+]([O-])c1ccc(-c2nc3ccncc3o2)cc1.
What is the InChIKey of 2-(4-nitrophenyl)-[1,3]oxazolo[5,4-c]pyridine?
The InChIKey is YNFOWUHSHDAMKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7N3O3/c16-15(17)9-3-1-8(2-4-9)12-14-10-5-6-13-7-11(10)18-12/h1-7H.
What are the key properties of 2-(4-nitrophenyl)-[1,3]oxazolo[5,4-c]pyridine?
2-(4-nitrophenyl)-[1,3]oxazolo[5,4-c]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-(4-nitrophenyl)-[1,3]oxazolo[5,4-c]pyridine is sourced from PubChem (CID 59680062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).