3-methyl-6-phenyl-3,4-dihydro-2,5-benzoxazocin-1-one

C17H15NO2 — CID 2806512

IUPAC3-methyl-6-phenyl-3,4-dihydro-2,5-benzoxazocin-1-one
SMILESCC1C/N=C(/c2ccccc2)c2ccccc2C(=O)O1
InChIInChI=1S/C17H15NO2/c1-12-11-18-16(13-7-3-2-4-8-13)14-9-5-6-10-15(14)17(19)20-12/h2-10,12H,11H2,1H3/b18-16-
InChIKeyKWOOIIYUJFUFPY-VLGSPTGOSA-N
MW265.31 g/mol
LogP3.08
Rot. Bonds1

About 3-methyl-6-phenyl-3,4-dihydro-2,5-benzoxazocin-1-one

3-methyl-6-phenyl-3,4-dihydro-2,5-benzoxazocin-1-one (PubChem CID 2806512) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-methyl-6-phenyl-3,4-dihydro-2,5-benzoxazocin-1-one.

Molecular Properties

Compound Name3-methyl-6-phenyl-3,4-dihydro-2,5-benzoxazocin-1-one
PubChem CID2806512
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name3-methyl-6-phenyl-3,4-dihydro-2,5-benzoxazocin-1-one
SMILESCC1C/N=C(/c2ccccc2)c2ccccc2C(=O)O1
InChIInChI=1S/C17H15NO2/c1-12-11-18-16(13-7-3-2-4-8-13)14-9-5-6-10-15(14)17(19)20-12/h2-10,12H,11H2,1H3/b18-16-
InChIKeyKWOOIIYUJFUFPY-VLGSPTGOSA-N
XLogP3.08
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Phenethyl-benzoic acid 2-diethylamino-ethyl ester
CID 13640200
Biphenyl-2-carboxylic acid 2-diethylamino-ethyl ester
CID 13640204
Biphenyl-2-carboxylic acid 2-diethylamino-1-methyl-ethyl ester
CID 13640210
o-Toluic acid, alpha-(2-(dimethylamino)ethoxy)-alpha-phenyl-
CID 207128
[2-(4,4-dimethyl-5H-1,3-oxazol-2-yl)phenyl]methyl 4-tert-butylbenzoate
CID 2732889
Ethanol, 2-(5H-dibenzo[a,d]cyclohepten-5-ylideneamino)-, benzoate (ester)
CID 382526
6-Phenyl-3,4-dihydro-2,5-benzoxazocin-1-one
CID 2806511
12-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)tricyclo[8.2.2.2~4,7~]hexadeca-1(12),4,6,10,13,15-hexaene-5-carboxylic acid
CID 1230142
Methyl 4-[2-(4,5-dihydro-1,3-oxazol-2-yl)-3-methylphenyl]benzoate
CID 25138489
Methyl 4-(4-ethyl-4,5-dihydro-1,3-oxazol-2-yl)benzoate
CID 101417790
Methyl 4-(4,5-dihydrooxazol-2-yl)benzoate
CID 10703416
2'-(4,4-Dimethyl-4,5-dihydro-1,3-oxazol-2-yl)biphenyl-4-carbaldehyde
CID 44478316

Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-phenyl-3,4-dihydro-2,5-benzoxazocin-1-one?
The IUPAC name of 3-methyl-6-phenyl-3,4-dihydro-2,5-benzoxazocin-1-one (CID 2806512) is 3-methyl-6-phenyl-3,4-dihydro-2,5-benzoxazocin-1-one.
What is the SMILES notation for 3-methyl-6-phenyl-3,4-dihydro-2,5-benzoxazocin-1-one?
The canonical SMILES for 3-methyl-6-phenyl-3,4-dihydro-2,5-benzoxazocin-1-one is CC1C/N=C(/c2ccccc2)c2ccccc2C(=O)O1.
What is the InChIKey of 3-methyl-6-phenyl-3,4-dihydro-2,5-benzoxazocin-1-one?
The InChIKey is KWOOIIYUJFUFPY-VLGSPTGOSA-N. The full InChI is InChI=1S/C17H15NO2/c1-12-11-18-16(13-7-3-2-4-8-13)14-9-5-6-10-15(14)17(19)20-12/h2-10,12H,11H2,1H3/b18-16-.
What are the key properties of 3-methyl-6-phenyl-3,4-dihydro-2,5-benzoxazocin-1-one?
3-methyl-6-phenyl-3,4-dihydro-2,5-benzoxazocin-1-one has a molecular weight of 265.31 g/mol, XLogP of 3.08, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-phenyl-3,4-dihydro-2,5-benzoxazocin-1-one is sourced from PubChem (CID 2806512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).