(3R)-5-benzyl-3-methyl-7-phenyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

C23H22N2O2 — CID 54547332

IUPAC(3R)-5-benzyl-3-methyl-7-phenyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
SMILESC[C@H]1COc2nccc(-c3ccccc3)c2C(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C23H22N2O2/c1-17-14-25(15-18-8-4-2-5-9-18)23(26)21-20(19-10-6-3-7-11-19)12-13-24-22(21)27-16-17/h2-13,17H,14-16H2,1H3/t17-/m1/s1
InChIKeyZHKXTYHDFYLZLZ-QGZVFWFLSA-N
MW358.44 g/mol
LogP4.42
Rot. Bonds3

About (3R)-5-benzyl-3-methyl-7-phenyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one

(3R)-5-benzyl-3-methyl-7-phenyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (PubChem CID 54547332) has the molecular formula C23H22N2O2 and a molecular weight of 358.44 g/mol. Its IUPAC name is (3R)-5-benzyl-3-methyl-7-phenyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one.

Molecular Properties

Compound Name(3R)-5-benzyl-3-methyl-7-phenyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
PubChem CID54547332
Molecular FormulaC23H22N2O2
Molecular Weight358.44 g/mol
Exact Mass358.17
IUPAC Name(3R)-5-benzyl-3-methyl-7-phenyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
SMILESC[C@H]1COc2nccc(-c3ccccc3)c2C(=O)N(Cc2ccccc2)C1
InChIInChI=1S/C23H22N2O2/c1-17-14-25(15-18-8-4-2-5-9-18)23(26)21-20(19-10-6-3-7-11-19)12-13-24-22(21)27-16-17/h2-13,17H,14-16H2,1H3/t17-/m1/s1
InChIKeyZHKXTYHDFYLZLZ-QGZVFWFLSA-N
XLogP4.42
TPSA42.43 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (3R)-5-benzyl-3-methyl-7-phenyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one with MolForge

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Related Compounds

5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-3,8-dimethyl-7-phenyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one
CID 18387247
(5S)-3-benzyl-5-methyl-1,3-oxazinan-2-one
CID 122420073
4-benzyl-5-oxo-6-phenyl-2,3-dihydropyrazine-2-carbaldehyde
CID 135018521
2-amino-6-benzyl-4-phenyl-8,9-dihydro-7H-pyrimido[4,5-b][1,5]oxazocin-5-one
CID 23594877
4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-8-(methylsulfanylmethyl)-6-phenyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-5-one
CID 15896163
N-[[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-oxo-6-phenyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-8-yl]methyl]methanesulfonamide
CID 15896171
N-[[4-[[3,5-bis(trifluoromethyl)phenyl]methyl]-5-oxo-6-phenyl-2,3-dihydropyrido[3,2-f][1,4]oxazepin-8-yl]methyl]acetamide
CID 15896169
8-benzyl-6-methyl-3-phenyl-6,7-dihydro-5H-pyrido[2,3-c]pyridazine
CID 58671539
4-benzyl-2-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine
CID 13212017
1,3-dibenzyl-5-phenyl-1,3-diazinan-2-one
CID 59057333
5-[[3,5-bis(trifluoromethyl)phenyl]methyl]-10-oxido-7-phenyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-10-ium-6-one
CID 22179330
6-benzyl-8-methyl-2-oxa-6-azabicyclo[2.2.2]oct-1(7)-ene
CID 138624121

Frequently Asked Questions

What is the IUPAC name of (3R)-5-benzyl-3-methyl-7-phenyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one?
The IUPAC name of (3R)-5-benzyl-3-methyl-7-phenyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one (CID 54547332) is (3R)-5-benzyl-3-methyl-7-phenyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one.
What is the SMILES notation for (3R)-5-benzyl-3-methyl-7-phenyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one?
The canonical SMILES for (3R)-5-benzyl-3-methyl-7-phenyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one is C[C@H]1COc2nccc(-c3ccccc3)c2C(=O)N(Cc2ccccc2)C1.
What is the InChIKey of (3R)-5-benzyl-3-methyl-7-phenyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one?
The InChIKey is ZHKXTYHDFYLZLZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C23H22N2O2/c1-17-14-25(15-18-8-4-2-5-9-18)23(26)21-20(19-10-6-3-7-11-19)12-13-24-22(21)27-16-17/h2-13,17H,14-16H2,1H3/t17-/m1/s1.
What are the key properties of (3R)-5-benzyl-3-methyl-7-phenyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one?
(3R)-5-benzyl-3-methyl-7-phenyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one has a molecular weight of 358.44 g/mol, XLogP of 4.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-5-benzyl-3-methyl-7-phenyl-3,4-dihydro-2H-pyrido[2,3-b][1,5]oxazocin-6-one is sourced from PubChem (CID 54547332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).