(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-amine

C6H8N4O3 — CID 15888323

IUPAC(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-amine
SMILESN[C@@H]1COc2nc([N+](=O)[O-])cn2C1
InChIInChI=1S/C6H8N4O3/c7-4-1-9-2-5(10(11)12)8-6(9)13-3-4/h2,4H,1,3,7H2/t4-/m0/s1
InChIKeySIMHJZHCZNNNEV-BYPYZUCNSA-N
MW184.15 g/mol
LogP-0.49
Rot. Bonds1

About (6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-amine

(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-amine (PubChem CID 15888323) has the molecular formula C6H8N4O3 and a molecular weight of 184.15 g/mol. Its IUPAC name is (6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-amine.

Molecular Properties

Compound Name(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-amine
PubChem CID15888323
Molecular FormulaC6H8N4O3
Molecular Weight184.15 g/mol
Exact Mass184.06
IUPAC Name(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-amine
SMILESN[C@@H]1COc2nc([N+](=O)[O-])cn2C1
InChIInChI=1S/C6H8N4O3/c7-4-1-9-2-5(10(11)12)8-6(9)13-3-4/h2,4H,1,3,7H2/t4-/m0/s1
InChIKeySIMHJZHCZNNNEV-BYPYZUCNSA-N
XLogP-0.49
TPSA96.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.15
LogP ≤ 5-0.49
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 (6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-amine?
The IUPAC name of (6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-amine (CID 15888323) is (6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-amine.
What is the SMILES notation for (6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-amine?
The canonical SMILES for (6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-amine is N[C@@H]1COc2nc([N+](=O)[O-])cn2C1.
What is the InChIKey of (6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-amine?
The InChIKey is SIMHJZHCZNNNEV-BYPYZUCNSA-N. The full InChI is InChI=1S/C6H8N4O3/c7-4-1-9-2-5(10(11)12)8-6(9)13-3-4/h2,4H,1,3,7H2/t4-/m0/s1.
What are the key properties of (6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-amine?
(6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-amine has a molecular weight of 184.15 g/mol, XLogP of -0.49, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazin-6-amine is sourced from PubChem (CID 15888323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).