9-methyl-7-phenyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,4]benzodiazepine

C19H20N2O — CID 3058321

IUPAC9-methyl-7-phenyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,4]benzodiazepine
SMILESCc1ccc2c(c1)C(c1ccccc1)=NCC1COCCN21
InChIInChI=1S/C19H20N2O/c1-14-7-8-18-17(11-14)19(15-5-3-2-4-6-15)20-12-16-13-22-10-9-21(16)18/h2-8,11,16H,9-10,12-13H2,1H3
InChIKeyFVZRZJCBVMLTRL-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.05
Rot. Bonds1

About 9-methyl-7-phenyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,4]benzodiazepine

9-methyl-7-phenyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,4]benzodiazepine (PubChem CID 3058321) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 9-methyl-7-phenyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,4]benzodiazepine.

Molecular Properties

Compound Name9-methyl-7-phenyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,4]benzodiazepine
PubChem CID3058321
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name9-methyl-7-phenyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,4]benzodiazepine
SMILESCc1ccc2c(c1)C(c1ccccc1)=NCC1COCCN21
InChIInChI=1S/C19H20N2O/c1-14-7-8-18-17(11-14)19(15-5-3-2-4-6-15)20-12-16-13-22-10-9-21(16)18/h2-8,11,16H,9-10,12-13H2,1H3
InChIKeyFVZRZJCBVMLTRL-UHFFFAOYSA-N
XLogP3.05
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-7-phenyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,4]benzodiazepine?
The IUPAC name of 9-methyl-7-phenyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,4]benzodiazepine (CID 3058321) is 9-methyl-7-phenyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,4]benzodiazepine.
What is the SMILES notation for 9-methyl-7-phenyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,4]benzodiazepine?
The canonical SMILES for 9-methyl-7-phenyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,4]benzodiazepine is Cc1ccc2c(c1)C(c1ccccc1)=NCC1COCCN21.
What is the InChIKey of 9-methyl-7-phenyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,4]benzodiazepine?
The InChIKey is FVZRZJCBVMLTRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-14-7-8-18-17(11-14)19(15-5-3-2-4-6-15)20-12-16-13-22-10-9-21(16)18/h2-8,11,16H,9-10,12-13H2,1H3.
What are the key properties of 9-methyl-7-phenyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,4]benzodiazepine?
9-methyl-7-phenyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,4]benzodiazepine has a molecular weight of 292.38 g/mol, XLogP of 3.05, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-7-phenyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,4]benzodiazepine is sourced from PubChem (CID 3058321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).