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

C19H20N2O2 — CID 3058335

IUPAC10-methoxy-7-phenyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,4]benzodiazepine
SMILESCOc1ccc2c(c1)N1CCOCC1CN=C2c1ccccc1
InChIInChI=1S/C19H20N2O2/c1-22-16-7-8-17-18(11-16)21-9-10-23-13-15(21)12-20-19(17)14-5-3-2-4-6-14/h2-8,11,15H,9-10,12-13H2,1H3
InChIKeyFHOSNLHIPUIYLU-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.75
Rot. Bonds2

About 10-methoxy-7-phenyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,4]benzodiazepine

10-methoxy-7-phenyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,4]benzodiazepine (PubChem CID 3058335) has the molecular formula C19H20N2O2 and a molecular weight of 308.38 g/mol. Its IUPAC name is 10-methoxy-7-phenyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,4]benzodiazepine.

Molecular Properties

Compound Name10-methoxy-7-phenyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,4]benzodiazepine
PubChem CID3058335
Molecular FormulaC19H20N2O2
Molecular Weight308.38 g/mol
Exact Mass308.15
IUPAC Name10-methoxy-7-phenyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,4]benzodiazepine
SMILESCOc1ccc2c(c1)N1CCOCC1CN=C2c1ccccc1
InChIInChI=1S/C19H20N2O2/c1-22-16-7-8-17-18(11-16)21-9-10-23-13-15(21)12-20-19(17)14-5-3-2-4-6-14/h2-8,11,15H,9-10,12-13H2,1H3
InChIKeyFHOSNLHIPUIYLU-UHFFFAOYSA-N
XLogP2.75
TPSA34.06 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 10-methoxy-7-phenyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,4]benzodiazepine?
The IUPAC name of 10-methoxy-7-phenyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,4]benzodiazepine (CID 3058335) is 10-methoxy-7-phenyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,4]benzodiazepine.
What is the SMILES notation for 10-methoxy-7-phenyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,4]benzodiazepine?
The canonical SMILES for 10-methoxy-7-phenyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,4]benzodiazepine is COc1ccc2c(c1)N1CCOCC1CN=C2c1ccccc1.
What is the InChIKey of 10-methoxy-7-phenyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,4]benzodiazepine?
The InChIKey is FHOSNLHIPUIYLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O2/c1-22-16-7-8-17-18(11-16)21-9-10-23-13-15(21)12-20-19(17)14-5-3-2-4-6-14/h2-8,11,15H,9-10,12-13H2,1H3.
What are the key properties of 10-methoxy-7-phenyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,4]benzodiazepine?
10-methoxy-7-phenyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,4]benzodiazepine has a molecular weight of 308.38 g/mol, XLogP of 2.75, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methoxy-7-phenyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,4]benzodiazepine is sourced from PubChem (CID 3058335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).