6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-nitropyridin-3-amine

C10H10N4O3 — CID 121441410

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-nitropyridin-3-amine
SMILESCc1noc(C)c1-c1ccc(N)c([N+](=O)[O-])n1
InChIInChI=1S/C10H10N4O3/c1-5-9(6(2)17-13-5)8-4-3-7(11)10(12-8)14(15)16/h3-4H,11H2,1-2H3
InChIKeyJPLZKKHTVIZVNN-UHFFFAOYSA-N
MW234.22 g/mol
LogP1.84
Rot. Bonds2

About 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-nitropyridin-3-amine

6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-nitropyridin-3-amine (PubChem CID 121441410) has the molecular formula C10H10N4O3 and a molecular weight of 234.22 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-nitropyridin-3-amine.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-nitropyridin-3-amine
PubChem CID121441410
Molecular FormulaC10H10N4O3
Molecular Weight234.22 g/mol
Exact Mass234.08
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-nitropyridin-3-amine
SMILESCc1noc(C)c1-c1ccc(N)c([N+](=O)[O-])n1
InChIInChI=1S/C10H10N4O3/c1-5-9(6(2)17-13-5)8-4-3-7(11)10(12-8)14(15)16/h3-4H,11H2,1-2H3
InChIKeyJPLZKKHTVIZVNN-UHFFFAOYSA-N
XLogP1.84
TPSA108.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.22
LogP ≤ 51.84
H-Bond Donors ≤ 51
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 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-nitropyridin-3-amine?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-nitropyridin-3-amine (CID 121441410) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-nitropyridin-3-amine.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-nitropyridin-3-amine?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-nitropyridin-3-amine is Cc1noc(C)c1-c1ccc(N)c([N+](=O)[O-])n1.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-nitropyridin-3-amine?
The InChIKey is JPLZKKHTVIZVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10N4O3/c1-5-9(6(2)17-13-5)8-4-3-7(11)10(12-8)14(15)16/h3-4H,11H2,1-2H3.
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-nitropyridin-3-amine?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-nitropyridin-3-amine has a molecular weight of 234.22 g/mol, XLogP of 1.84, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-nitropyridin-3-amine is sourced from PubChem (CID 121441410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).