5-nitro-[1,2]oxazolo[5,4-b]pyridin-3-amine

C6H4N4O3 — CID 118867664

IUPAC5-nitro-[1,2]oxazolo[5,4-b]pyridin-3-amine
SMILESNc1noc2ncc([N+](=O)[O-])cc12
InChIInChI=1S/C6H4N4O3/c7-5-4-1-3(10(11)12)2-8-6(4)13-9-5/h1-2H,(H2,7,9)
InChIKeyMTZCQWRPKZDINF-UHFFFAOYSA-N
MW180.12 g/mol
LogP0.71
Rot. Bonds1

About 5-nitro-[1,2]oxazolo[5,4-b]pyridin-3-amine

5-nitro-[1,2]oxazolo[5,4-b]pyridin-3-amine (PubChem CID 118867664) has the molecular formula C6H4N4O3 and a molecular weight of 180.12 g/mol. Its IUPAC name is 5-nitro-[1,2]oxazolo[5,4-b]pyridin-3-amine.

Molecular Properties

Compound Name5-nitro-[1,2]oxazolo[5,4-b]pyridin-3-amine
PubChem CID118867664
Molecular FormulaC6H4N4O3
Molecular Weight180.12 g/mol
Exact Mass180.03
IUPAC Name5-nitro-[1,2]oxazolo[5,4-b]pyridin-3-amine
SMILESNc1noc2ncc([N+](=O)[O-])cc12
InChIInChI=1S/C6H4N4O3/c7-5-4-1-3(10(11)12)2-8-6(4)13-9-5/h1-2H,(H2,7,9)
InChIKeyMTZCQWRPKZDINF-UHFFFAOYSA-N
XLogP0.71
TPSA108.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.12
LogP ≤ 50.71
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 5-nitro-[1,2]oxazolo[5,4-b]pyridin-3-amine?
The IUPAC name of 5-nitro-[1,2]oxazolo[5,4-b]pyridin-3-amine (CID 118867664) is 5-nitro-[1,2]oxazolo[5,4-b]pyridin-3-amine.
What is the SMILES notation for 5-nitro-[1,2]oxazolo[5,4-b]pyridin-3-amine?
The canonical SMILES for 5-nitro-[1,2]oxazolo[5,4-b]pyridin-3-amine is Nc1noc2ncc([N+](=O)[O-])cc12.
What is the InChIKey of 5-nitro-[1,2]oxazolo[5,4-b]pyridin-3-amine?
The InChIKey is MTZCQWRPKZDINF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4N4O3/c7-5-4-1-3(10(11)12)2-8-6(4)13-9-5/h1-2H,(H2,7,9).
What are the key properties of 5-nitro-[1,2]oxazolo[5,4-b]pyridin-3-amine?
5-nitro-[1,2]oxazolo[5,4-b]pyridin-3-amine has a molecular weight of 180.12 g/mol, XLogP of 0.71, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nitro-[1,2]oxazolo[5,4-b]pyridin-3-amine is sourced from PubChem (CID 118867664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).