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

C19H20N2O — CID 3058322

IUPAC10-methyl-7-phenyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,4]benzodiazepine
SMILESCc1ccc2c(c1)N1CCOCC1CN=C2c1ccccc1
InChIInChI=1S/C19H20N2O/c1-14-7-8-17-18(11-14)21-9-10-22-13-16(21)12-20-19(17)15-5-3-2-4-6-15/h2-8,11,16H,9-10,12-13H2,1H3
InChIKeyNZVMVWOBAQFVSU-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.05
Rot. Bonds1

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

10-methyl-7-phenyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,4]benzodiazepine (PubChem CID 3058322) has the molecular formula C19H20N2O and a molecular weight of 292.38 g/mol. Its IUPAC name is 10-methyl-7-phenyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,4]benzodiazepine.

Molecular Properties

Compound Name10-methyl-7-phenyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,4]benzodiazepine
PubChem CID3058322
Molecular FormulaC19H20N2O
Molecular Weight292.38 g/mol
Exact Mass292.16
IUPAC Name10-methyl-7-phenyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,4]benzodiazepine
SMILESCc1ccc2c(c1)N1CCOCC1CN=C2c1ccccc1
InChIInChI=1S/C19H20N2O/c1-14-7-8-17-18(11-14)21-9-10-22-13-16(21)12-20-19(17)15-5-3-2-4-6-15/h2-8,11,16H,9-10,12-13H2,1H3
InChIKeyNZVMVWOBAQFVSU-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 10-methyl-7-phenyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,4]benzodiazepine?
The IUPAC name of 10-methyl-7-phenyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,4]benzodiazepine (CID 3058322) is 10-methyl-7-phenyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,4]benzodiazepine.
What is the SMILES notation for 10-methyl-7-phenyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,4]benzodiazepine?
The canonical SMILES for 10-methyl-7-phenyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,4]benzodiazepine is Cc1ccc2c(c1)N1CCOCC1CN=C2c1ccccc1.
What is the InChIKey of 10-methyl-7-phenyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,4]benzodiazepine?
The InChIKey is NZVMVWOBAQFVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O/c1-14-7-8-17-18(11-14)21-9-10-22-13-16(21)12-20-19(17)15-5-3-2-4-6-15/h2-8,11,16H,9-10,12-13H2,1H3.
What are the key properties of 10-methyl-7-phenyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,4]benzodiazepine?
10-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 10-methyl-7-phenyl-2,4,4a,5-tetrahydro-1H-[1,4]oxazino[4,3-a][1,4]benzodiazepine is sourced from PubChem (CID 3058322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).