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

C10H5N3O3S — CID 59679932

IUPAC2-(5-nitrothiophen-2-yl)-[1,3]oxazolo[5,4-c]pyridine
SMILESO=[N+]([O-])c1ccc(-c2nc3ccncc3o2)s1
InChIInChI=1S/C10H5N3O3S/c14-13(15)9-2-1-8(17-9)10-12-6-3-4-11-5-7(6)16-10/h1-5H
InChIKeyJRBIKGIOCMCIKM-UHFFFAOYSA-N
MW247.24 g/mol
LogP2.86
Rot. Bonds2

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

2-(5-nitrothiophen-2-yl)-[1,3]oxazolo[5,4-c]pyridine (PubChem CID 59679932) has the molecular formula C10H5N3O3S and a molecular weight of 247.24 g/mol. Its IUPAC name is 2-(5-nitrothiophen-2-yl)-[1,3]oxazolo[5,4-c]pyridine.

Molecular Properties

Compound Name2-(5-nitrothiophen-2-yl)-[1,3]oxazolo[5,4-c]pyridine
PubChem CID59679932
Molecular FormulaC10H5N3O3S
Molecular Weight247.24 g/mol
Exact Mass247.01
IUPAC Name2-(5-nitrothiophen-2-yl)-[1,3]oxazolo[5,4-c]pyridine
SMILESO=[N+]([O-])c1ccc(-c2nc3ccncc3o2)s1
InChIInChI=1S/C10H5N3O3S/c14-13(15)9-2-1-8(17-9)10-12-6-3-4-11-5-7(6)16-10/h1-5H
InChIKeyJRBIKGIOCMCIKM-UHFFFAOYSA-N
XLogP2.86
TPSA82.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.24
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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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Frequently Asked Questions

What is the IUPAC name of 2-(5-nitrothiophen-2-yl)-[1,3]oxazolo[5,4-c]pyridine?
The IUPAC name of 2-(5-nitrothiophen-2-yl)-[1,3]oxazolo[5,4-c]pyridine (CID 59679932) is 2-(5-nitrothiophen-2-yl)-[1,3]oxazolo[5,4-c]pyridine.
What is the SMILES notation for 2-(5-nitrothiophen-2-yl)-[1,3]oxazolo[5,4-c]pyridine?
The canonical SMILES for 2-(5-nitrothiophen-2-yl)-[1,3]oxazolo[5,4-c]pyridine is O=[N+]([O-])c1ccc(-c2nc3ccncc3o2)s1.
What is the InChIKey of 2-(5-nitrothiophen-2-yl)-[1,3]oxazolo[5,4-c]pyridine?
The InChIKey is JRBIKGIOCMCIKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5N3O3S/c14-13(15)9-2-1-8(17-9)10-12-6-3-4-11-5-7(6)16-10/h1-5H.
What are the key properties of 2-(5-nitrothiophen-2-yl)-[1,3]oxazolo[5,4-c]pyridine?
2-(5-nitrothiophen-2-yl)-[1,3]oxazolo[5,4-c]pyridine has a molecular weight of 247.24 g/mol, XLogP of 2.86, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-nitrothiophen-2-yl)-[1,3]oxazolo[5,4-c]pyridine is sourced from PubChem (CID 59679932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).