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

C15H14N6O4 — CID 44817950

IUPAC(6S)-2-nitro-6-[(2-phenyltriazol-4-yl)methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
SMILESO=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cnn(-c3ccccc3)n1)C2
InChIInChI=1S/C15H14N6O4/c22-21(23)14-8-19-7-13(10-25-15(19)17-14)24-9-11-6-16-20(18-11)12-4-2-1-3-5-12/h1-6,8,13H,7,9-10H2/t13-/m0/s1
InChIKeyQPTXNIRJIRAHGN-ZDUSSCGKSA-N
MW342.31 g/mol
LogP1.35
Rot. Bonds5

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

(6S)-2-nitro-6-[(2-phenyltriazol-4-yl)methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine (PubChem CID 44817950) has the molecular formula C15H14N6O4 and a molecular weight of 342.31 g/mol. Its IUPAC name is (6S)-2-nitro-6-[(2-phenyltriazol-4-yl)methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine.

Molecular Properties

Compound Name(6S)-2-nitro-6-[(2-phenyltriazol-4-yl)methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
PubChem CID44817950
Molecular FormulaC15H14N6O4
Molecular Weight342.31 g/mol
Exact Mass342.11
IUPAC Name(6S)-2-nitro-6-[(2-phenyltriazol-4-yl)methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine
SMILESO=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cnn(-c3ccccc3)n1)C2
InChIInChI=1S/C15H14N6O4/c22-21(23)14-8-19-7-13(10-25-15(19)17-14)24-9-11-6-16-20(18-11)12-4-2-1-3-5-12/h1-6,8,13H,7,9-10H2/t13-/m0/s1
InChIKeyQPTXNIRJIRAHGN-ZDUSSCGKSA-N
XLogP1.35
TPSA110.13 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.31
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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-[(2-phenyltriazol-4-yl)methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
The IUPAC name of (6S)-2-nitro-6-[(2-phenyltriazol-4-yl)methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine (CID 44817950) is (6S)-2-nitro-6-[(2-phenyltriazol-4-yl)methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine.
What is the SMILES notation for (6S)-2-nitro-6-[(2-phenyltriazol-4-yl)methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
The canonical SMILES for (6S)-2-nitro-6-[(2-phenyltriazol-4-yl)methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine is O=[N+]([O-])c1cn2c(n1)OC[C@@H](OCc1cnn(-c3ccccc3)n1)C2.
What is the InChIKey of (6S)-2-nitro-6-[(2-phenyltriazol-4-yl)methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
The InChIKey is QPTXNIRJIRAHGN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C15H14N6O4/c22-21(23)14-8-19-7-13(10-25-15(19)17-14)24-9-11-6-16-20(18-11)12-4-2-1-3-5-12/h1-6,8,13H,7,9-10H2/t13-/m0/s1.
What are the key properties of (6S)-2-nitro-6-[(2-phenyltriazol-4-yl)methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine?
(6S)-2-nitro-6-[(2-phenyltriazol-4-yl)methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine has a molecular weight of 342.31 g/mol, XLogP of 1.35, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (6S)-2-nitro-6-[(2-phenyltriazol-4-yl)methoxy]-6,7-dihydro-5H-imidazo[2,1-b][1,3]oxazine is sourced from PubChem (CID 44817950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).