(6S)-6-[(2-naphthalen-2-ylphenyl)methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine

C23H19N3O4 — CID 44627445

IUPAC(6S)-6-[(2-naphthalen-2-ylphenyl)methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
SMILESO=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccccc1-c1ccc3ccccc3c1)C2
InChIInChI=1S/C23H19N3O4/c27-26(28)22-13-25-12-20(15-30-23(25)24-22)29-14-19-7-3-4-8-21(19)18-10-9-16-5-1-2-6-17(16)11-18/h1-11,13,20H,12,14-15H2/t20-/m0/s1
InChIKeyRJODRYCXYIZREL-FQEVSTJZSA-N
MW401.42 g/mol
LogP4.59
Rot. Bonds5

About (6S)-6-[(2-naphthalen-2-ylphenyl)methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine

(6S)-6-[(2-naphthalen-2-ylphenyl)methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine (PubChem CID 44627445) has the molecular formula C23H19N3O4 and a molecular weight of 401.42 g/mol. Its IUPAC name is (6S)-6-[(2-naphthalen-2-ylphenyl)methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine.

Molecular Properties

Compound Name(6S)-6-[(2-naphthalen-2-ylphenyl)methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
PubChem CID44627445
Molecular FormulaC23H19N3O4
Molecular Weight401.42 g/mol
Exact Mass401.14
IUPAC Name(6S)-6-[(2-naphthalen-2-ylphenyl)methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
SMILESO=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccccc1-c1ccc3ccccc3c1)C2
InChIInChI=1S/C23H19N3O4/c27-26(28)22-13-25-12-20(15-30-23(25)24-22)29-14-19-7-3-4-8-21(19)18-10-9-16-5-1-2-6-17(16)11-18/h1-11,13,20H,12,14-15H2/t20-/m0/s1
InChIKeyRJODRYCXYIZREL-FQEVSTJZSA-N
XLogP4.59
TPSA79.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.42
LogP ≤ 54.59
H-Bond Donors ≤ 50
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)-6-[(2-naphthalen-2-ylphenyl)methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
The IUPAC name of (6S)-6-[(2-naphthalen-2-ylphenyl)methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine (CID 44627445) is (6S)-6-[(2-naphthalen-2-ylphenyl)methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine.
What is the SMILES notation for (6S)-6-[(2-naphthalen-2-ylphenyl)methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
The canonical SMILES for (6S)-6-[(2-naphthalen-2-ylphenyl)methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine is O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccccc1-c1ccc3ccccc3c1)C2.
What is the InChIKey of (6S)-6-[(2-naphthalen-2-ylphenyl)methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
The InChIKey is RJODRYCXYIZREL-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H19N3O4/c27-26(28)22-13-25-12-20(15-30-23(25)24-22)29-14-19-7-3-4-8-21(19)18-10-9-16-5-1-2-6-17(16)11-18/h1-11,13,20H,12,14-15H2/t20-/m0/s1.
What are the key properties of (6S)-6-[(2-naphthalen-2-ylphenyl)methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
(6S)-6-[(2-naphthalen-2-ylphenyl)methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine has a molecular weight of 401.42 g/mol, XLogP of 4.59, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-6-[(2-naphthalen-2-ylphenyl)methoxy]-2-nitro-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine is sourced from PubChem (CID 44627445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).