(5S,6S)-6-phenoxy-5-phenyl-4-oxa-1-azabicyclo[3.2.0]heptan-7-one

C17H15NO3 — CID 165351417

IUPAC(5S,6S)-6-phenoxy-5-phenyl-4-oxa-1-azabicyclo[3.2.0]heptan-7-one
SMILESO=C1[C@@H](Oc2ccccc2)[C@]2(c3ccccc3)OCCN12
InChIInChI=1S/C17H15NO3/c19-16-15(21-14-9-5-2-6-10-14)17(18(16)11-12-20-17)13-7-3-1-4-8-13/h1-10,15H,11-12H2/t15-,17+/m1/s1
InChIKeySCOBMBJLZIEQLN-WBVHZDCISA-N
MW281.31 g/mol
LogP2.16
Rot. Bonds3

About (5S,6S)-6-phenoxy-5-phenyl-4-oxa-1-azabicyclo[3.2.0]heptan-7-one

(5S,6S)-6-phenoxy-5-phenyl-4-oxa-1-azabicyclo[3.2.0]heptan-7-one (PubChem CID 165351417) has the molecular formula C17H15NO3 and a molecular weight of 281.31 g/mol. Its IUPAC name is (5S,6S)-6-phenoxy-5-phenyl-4-oxa-1-azabicyclo[3.2.0]heptan-7-one.

Molecular Properties

Compound Name(5S,6S)-6-phenoxy-5-phenyl-4-oxa-1-azabicyclo[3.2.0]heptan-7-one
PubChem CID165351417
Molecular FormulaC17H15NO3
Molecular Weight281.31 g/mol
Exact Mass281.11
IUPAC Name(5S,6S)-6-phenoxy-5-phenyl-4-oxa-1-azabicyclo[3.2.0]heptan-7-one
SMILESO=C1[C@@H](Oc2ccccc2)[C@]2(c3ccccc3)OCCN12
InChIInChI=1S/C17H15NO3/c19-16-15(21-14-9-5-2-6-10-14)17(18(16)11-12-20-17)13-7-3-1-4-8-13/h1-10,15H,11-12H2/t15-,17+/m1/s1
InChIKeySCOBMBJLZIEQLN-WBVHZDCISA-N
XLogP2.16
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.31
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S,3S)-3-phenoxy-2-phenyl-5-azatricyclo[7.4.0.02,5]trideca-1(13),9,11-trien-4-one
CID 69417133
6-phenoxy-2,4-diphenyl-4-azaspiro[2.3]hexan-5-one
CID 14870164
3-(3,5-dimethoxyphenoxy)-2-phenyl-5-azatricyclo[7.4.0.02,5]trideca-1(13),9,11-trien-4-one
CID 69413495
(10S,10aR)-10-(4-methylpiperazine-1-carbonyl)-10a-phenyl-3,10-dihydro-2H-[1,3]oxazolo[3,2-b]isoquinolin-5-one
CID 101447196
2,2-dicyclopropyl-N-(3-phenoxycyclobutyl)morpholine-4-carboxamide
CID 154851413
(2R)-2-phenoxyoxetane
CID 154469207
2-phenyl-3-oxa-6,8,12-triazatricyclo[7.4.0.02,6]trideca-1(9),10,12-trien-7-one
CID 67798997
1,5,6-triphenyl-2,7,8-trioxa-5-azabicyclo[4.2.0]octane
CID 101259220
9b-[4-[bis(2-chloroethyl)amino]phenyl]-1-phenoxy-4,5-dihydro-1H-azeto[2,1-a]isoquinolin-2-one
CID 12509593
(4R,5S,7S)-7-(2-chlorophenyl)-4-phenoxy-5-phenyl-8-thia-2-azatricyclo[7.4.0.02,5]trideca-1(13),9,11-trien-3-one
CID 40736408
7,8-dichloro-9b-phenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one
CID 23178311
(4S,5S,7R)-8-benzoyl-4-phenoxy-5,7-diphenyl-2,8-diazatricyclo[7.4.0.02,5]trideca-1(13),9,11-trien-3-one
CID 40736387

Frequently Asked Questions

What is the IUPAC name of (5S,6S)-6-phenoxy-5-phenyl-4-oxa-1-azabicyclo[3.2.0]heptan-7-one?
The IUPAC name of (5S,6S)-6-phenoxy-5-phenyl-4-oxa-1-azabicyclo[3.2.0]heptan-7-one (CID 165351417) is (5S,6S)-6-phenoxy-5-phenyl-4-oxa-1-azabicyclo[3.2.0]heptan-7-one.
What is the SMILES notation for (5S,6S)-6-phenoxy-5-phenyl-4-oxa-1-azabicyclo[3.2.0]heptan-7-one?
The canonical SMILES for (5S,6S)-6-phenoxy-5-phenyl-4-oxa-1-azabicyclo[3.2.0]heptan-7-one is O=C1[C@@H](Oc2ccccc2)[C@]2(c3ccccc3)OCCN12.
What is the InChIKey of (5S,6S)-6-phenoxy-5-phenyl-4-oxa-1-azabicyclo[3.2.0]heptan-7-one?
The InChIKey is SCOBMBJLZIEQLN-WBVHZDCISA-N. The full InChI is InChI=1S/C17H15NO3/c19-16-15(21-14-9-5-2-6-10-14)17(18(16)11-12-20-17)13-7-3-1-4-8-13/h1-10,15H,11-12H2/t15-,17+/m1/s1.
What are the key properties of (5S,6S)-6-phenoxy-5-phenyl-4-oxa-1-azabicyclo[3.2.0]heptan-7-one?
(5S,6S)-6-phenoxy-5-phenyl-4-oxa-1-azabicyclo[3.2.0]heptan-7-one has a molecular weight of 281.31 g/mol, XLogP of 2.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-6-phenoxy-5-phenyl-4-oxa-1-azabicyclo[3.2.0]heptan-7-one is sourced from PubChem (CID 165351417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).