(2S,9bR)-2-methyl-9b-phenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one

C17H15NO2 — CID 5327603

IUPAC(2S,9bR)-2-methyl-9b-phenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one
SMILESC[C@H]1CN2C(=O)c3ccccc3[C@@]2(c2ccccc2)O1
InChIInChI=1S/C17H15NO2/c1-12-11-18-16(19)14-9-5-6-10-15(14)17(18,20-12)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3/t12-,17+/m0/s1
InChIKeyMRZJCUSMOAGLGY-YVEFUNNKSA-N
MW265.31 g/mol
LogP2.76
Rot. Bonds1

About (2S,9bR)-2-methyl-9b-phenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one

(2S,9bR)-2-methyl-9b-phenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one (PubChem CID 5327603) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is (2S,9bR)-2-methyl-9b-phenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one.

Molecular Properties

Compound Name(2S,9bR)-2-methyl-9b-phenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one
PubChem CID5327603
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name(2S,9bR)-2-methyl-9b-phenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one
SMILESC[C@H]1CN2C(=O)c3ccccc3[C@@]2(c2ccccc2)O1
InChIInChI=1S/C17H15NO2/c1-12-11-18-16(19)14-9-5-6-10-15(14)17(18,20-12)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3/t12-,17+/m0/s1
InChIKeyMRZJCUSMOAGLGY-YVEFUNNKSA-N
XLogP2.76
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (2S,9bR)-2-methyl-9b-phenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one?
The IUPAC name of (2S,9bR)-2-methyl-9b-phenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one (CID 5327603) is (2S,9bR)-2-methyl-9b-phenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one.
What is the SMILES notation for (2S,9bR)-2-methyl-9b-phenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one?
The canonical SMILES for (2S,9bR)-2-methyl-9b-phenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one is C[C@H]1CN2C(=O)c3ccccc3[C@@]2(c2ccccc2)O1.
What is the InChIKey of (2S,9bR)-2-methyl-9b-phenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one?
The InChIKey is MRZJCUSMOAGLGY-YVEFUNNKSA-N. The full InChI is InChI=1S/C17H15NO2/c1-12-11-18-16(19)14-9-5-6-10-15(14)17(18,20-12)13-7-3-2-4-8-13/h2-10,12H,11H2,1H3/t12-,17+/m0/s1.
What are the key properties of (2S,9bR)-2-methyl-9b-phenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one?
(2S,9bR)-2-methyl-9b-phenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one has a molecular weight of 265.31 g/mol, XLogP of 2.76, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,9bR)-2-methyl-9b-phenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one is sourced from PubChem (CID 5327603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).