(6S)-2-nitro-6-[(4-phenylphenyl)methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine

C19H17N3O4 — CID 44627875

IUPAC(6S)-2-nitro-6-[(4-phenylphenyl)methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
SMILESO=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccccc3)cc1)C2
InChIInChI=1S/C19H17N3O4/c23-22(24)18-11-21-10-17(13-26-19(21)20-18)25-12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,11,17H,10,12-13H2/t17-/m0/s1
InChIKeyNJHKWPMIXFRSEE-KRWDZBQOSA-N
MW351.36 g/mol
LogP3.44
Rot. Bonds5

About (6S)-2-nitro-6-[(4-phenylphenyl)methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine

(6S)-2-nitro-6-[(4-phenylphenyl)methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine (PubChem CID 44627875) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is (6S)-2-nitro-6-[(4-phenylphenyl)methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine.

Molecular Properties

Compound Name(6S)-2-nitro-6-[(4-phenylphenyl)methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
PubChem CID44627875
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name(6S)-2-nitro-6-[(4-phenylphenyl)methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
SMILESO=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccccc3)cc1)C2
InChIInChI=1S/C19H17N3O4/c23-22(24)18-11-21-10-17(13-26-19(21)20-18)25-12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,11,17H,10,12-13H2/t17-/m0/s1
InChIKeyNJHKWPMIXFRSEE-KRWDZBQOSA-N
XLogP3.44
TPSA79.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 53.44
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'}

Analyze (6S)-2-nitro-6-[(4-phenylphenyl)methoxy]-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 (6S)-2-nitro-6-[(4-phenylphenyl)methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
The IUPAC name of (6S)-2-nitro-6-[(4-phenylphenyl)methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine (CID 44627875) is (6S)-2-nitro-6-[(4-phenylphenyl)methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine.
What is the SMILES notation for (6S)-2-nitro-6-[(4-phenylphenyl)methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
The canonical SMILES for (6S)-2-nitro-6-[(4-phenylphenyl)methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine is O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1ccc(-c3ccccc3)cc1)C2.
What is the InChIKey of (6S)-2-nitro-6-[(4-phenylphenyl)methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
The InChIKey is NJHKWPMIXFRSEE-KRWDZBQOSA-N. The full InChI is InChI=1S/C19H17N3O4/c23-22(24)18-11-21-10-17(13-26-19(21)20-18)25-12-14-6-8-16(9-7-14)15-4-2-1-3-5-15/h1-9,11,17H,10,12-13H2/t17-/m0/s1.
What are the key properties of (6S)-2-nitro-6-[(4-phenylphenyl)methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
(6S)-2-nitro-6-[(4-phenylphenyl)methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine has a molecular weight of 351.36 g/mol, XLogP of 3.44, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-nitro-6-[(4-phenylphenyl)methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine is sourced from PubChem (CID 44627875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).