7-[(5-chloro-2-pyridinyl)oxymethyl]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine

C12H11ClN4O4 — CID 166631091

IUPAC7-[(5-chloro-2-pyridinyl)oxymethyl]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
SMILESO=[N+]([O-])c1cn2c(n1)OC(COc1ccc(Cl)cn1)CC2
InChIInChI=1S/C12H11ClN4O4/c13-8-1-2-11(14-5-8)20-7-9-3-4-16-6-10(17(18)19)15-12(16)21-9/h1-2,5-6,9H,3-4,7H2
InChIKeyRGYKZZYNXRZLIJ-UHFFFAOYSA-N
MW310.70 g/mol
LogP2.07
Rot. Bonds4

About 7-[(5-chloro-2-pyridinyl)oxymethyl]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine

7-[(5-chloro-2-pyridinyl)oxymethyl]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine (PubChem CID 166631091) has the molecular formula C12H11ClN4O4 and a molecular weight of 310.70 g/mol. Its IUPAC name is 7-[(5-chloro-2-pyridinyl)oxymethyl]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine.

Molecular Properties

Compound Name7-[(5-chloro-2-pyridinyl)oxymethyl]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
PubChem CID166631091
Molecular FormulaC12H11ClN4O4
Molecular Weight310.70 g/mol
Exact Mass310.05
IUPAC Name7-[(5-chloro-2-pyridinyl)oxymethyl]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
SMILESO=[N+]([O-])c1cn2c(n1)OC(COc1ccc(Cl)cn1)CC2
InChIInChI=1S/C12H11ClN4O4/c13-8-1-2-11(14-5-8)20-7-9-3-4-16-6-10(17(18)19)15-12(16)21-9/h1-2,5-6,9H,3-4,7H2
InChIKeyRGYKZZYNXRZLIJ-UHFFFAOYSA-N
XLogP2.07
TPSA92.31 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.70
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 7-[(5-chloro-2-pyridinyl)oxymethyl]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-[(5-chloro-2-pyridinyl)oxymethyl]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
The IUPAC name of 7-[(5-chloro-2-pyridinyl)oxymethyl]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine (CID 166631091) is 7-[(5-chloro-2-pyridinyl)oxymethyl]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine.
What is the SMILES notation for 7-[(5-chloro-2-pyridinyl)oxymethyl]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
The canonical SMILES for 7-[(5-chloro-2-pyridinyl)oxymethyl]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine is O=[N+]([O-])c1cn2c(n1)OC(COc1ccc(Cl)cn1)CC2.
What is the InChIKey of 7-[(5-chloro-2-pyridinyl)oxymethyl]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
The InChIKey is RGYKZZYNXRZLIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O4/c13-8-1-2-11(14-5-8)20-7-9-3-4-16-6-10(17(18)19)15-12(16)21-9/h1-2,5-6,9H,3-4,7H2.
What are the key properties of 7-[(5-chloro-2-pyridinyl)oxymethyl]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
7-[(5-chloro-2-pyridinyl)oxymethyl]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine has a molecular weight of 310.70 g/mol, XLogP of 2.07, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5-chloro-2-pyridinyl)oxymethyl]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine is sourced from PubChem (CID 166631091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).