3,5-dimethyl-4-(6-nitro-3-pyridinyl)-1,2-oxazole

C10H9N3O3 — CID 121374373

IUPAC3,5-dimethyl-4-(6-nitro-3-pyridinyl)-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc([N+](=O)[O-])nc1
InChIInChI=1S/C10H9N3O3/c1-6-10(7(2)16-12-6)8-3-4-9(11-5-8)13(14)15/h3-5H,1-2H3
InChIKeyDAQMKMVJLUGDCY-UHFFFAOYSA-N
MW219.20 g/mol
LogP2.26
Rot. Bonds2

About 3,5-dimethyl-4-(6-nitro-3-pyridinyl)-1,2-oxazole

3,5-dimethyl-4-(6-nitro-3-pyridinyl)-1,2-oxazole (PubChem CID 121374373) has the molecular formula C10H9N3O3 and a molecular weight of 219.20 g/mol. Its IUPAC name is 3,5-dimethyl-4-(6-nitro-3-pyridinyl)-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-(6-nitro-3-pyridinyl)-1,2-oxazole
PubChem CID121374373
Molecular FormulaC10H9N3O3
Molecular Weight219.20 g/mol
Exact Mass219.06
IUPAC Name3,5-dimethyl-4-(6-nitro-3-pyridinyl)-1,2-oxazole
SMILESCc1noc(C)c1-c1ccc([N+](=O)[O-])nc1
InChIInChI=1S/C10H9N3O3/c1-6-10(7(2)16-12-6)8-3-4-9(11-5-8)13(14)15/h3-5H,1-2H3
InChIKeyDAQMKMVJLUGDCY-UHFFFAOYSA-N
XLogP2.26
TPSA82.06 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.20
LogP ≤ 52.26
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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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-(6-nitro-3-pyridinyl)-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-(6-nitro-3-pyridinyl)-1,2-oxazole (CID 121374373) is 3,5-dimethyl-4-(6-nitro-3-pyridinyl)-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-(6-nitro-3-pyridinyl)-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-(6-nitro-3-pyridinyl)-1,2-oxazole is Cc1noc(C)c1-c1ccc([N+](=O)[O-])nc1.
What is the InChIKey of 3,5-dimethyl-4-(6-nitro-3-pyridinyl)-1,2-oxazole?
The InChIKey is DAQMKMVJLUGDCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N3O3/c1-6-10(7(2)16-12-6)8-3-4-9(11-5-8)13(14)15/h3-5H,1-2H3.
What are the key properties of 3,5-dimethyl-4-(6-nitro-3-pyridinyl)-1,2-oxazole?
3,5-dimethyl-4-(6-nitro-3-pyridinyl)-1,2-oxazole has a molecular weight of 219.20 g/mol, XLogP of 2.26, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-(6-nitro-3-pyridinyl)-1,2-oxazole is sourced from PubChem (CID 121374373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).