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

C17H15NO2 — CID 10956434

IUPAC(3S,9bR)-3-benzyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one
SMILESO=C1c2ccccc2[C@H]2OC[C@H](Cc3ccccc3)N12
InChIInChI=1S/C17H15NO2/c19-16-14-8-4-5-9-15(14)17-18(16)13(11-20-17)10-12-6-2-1-3-7-12/h1-9,13,17H,10-11H2/t13-,17+/m0/s1
InChIKeyHKYZORIGQNIHOO-SUMWQHHRSA-N
MW265.31 g/mol
LogP2.78
Rot. Bonds2

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

(3S,9bR)-3-benzyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one (PubChem CID 10956434) has the molecular formula C17H15NO2 and a molecular weight of 265.31 g/mol. Its IUPAC name is (3S,9bR)-3-benzyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one.

Molecular Properties

Compound Name(3S,9bR)-3-benzyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one
PubChem CID10956434
Molecular FormulaC17H15NO2
Molecular Weight265.31 g/mol
Exact Mass265.11
IUPAC Name(3S,9bR)-3-benzyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one
SMILESO=C1c2ccccc2[C@H]2OC[C@H](Cc3ccccc3)N12
InChIInChI=1S/C17H15NO2/c19-16-14-8-4-5-9-15(14)17-18(16)13(11-20-17)10-12-6-2-1-3-7-12/h1-9,13,17H,10-11H2/t13-,17+/m0/s1
InChIKeyHKYZORIGQNIHOO-SUMWQHHRSA-N
XLogP2.78
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S,9bR)-3-benzyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one with MolForge

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Related Compounds

9b-phenyl-2,3-dihydro[1,3]oxazolo[2,3-a]isoindol-5(9bH)-one
CID 455106
2-(4-fluorobenzyl)-3-methoxy-2,3-dihydro-1H-isoindol-1-one
CID 23724287
MS-2764
CID 3796131
Pyrrolo(2,1-b)oxazol-5-one, 2,3,5,6,7,7a-hexahydro-7a-phenyl-
CID 201901
(3S)-3-methyl-9b-phenyl-2,3-dihydrooxazolo[2,3-a]isoindol-5-one
CID 455114
Thiazoloisoindol-5-one deriv. 42
CID 455115
10b-phenyl-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one
CID 455110
Isoindolinone scaffold, 53
CID 16090405
Isoindolinone scaffold, 57
CID 16090453
3-hydroxy-2-(1-phenylethyl)-3H-isoindol-1-one
CID 9550759
2-(1,3-Dioxoisoindolin-2-yl)ethyl benzoate
CID 711247
(3S-cis)-(+)-Tetrahydro-3,7a-diphenylpyrrolo[2,1-b]oxazol-5(6H)-one
CID 854037

Frequently Asked Questions

What is the IUPAC name of (3S,9bR)-3-benzyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one?
The IUPAC name of (3S,9bR)-3-benzyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one (CID 10956434) is (3S,9bR)-3-benzyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one.
What is the SMILES notation for (3S,9bR)-3-benzyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one?
The canonical SMILES for (3S,9bR)-3-benzyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one is O=C1c2ccccc2[C@H]2OC[C@H](Cc3ccccc3)N12.
What is the InChIKey of (3S,9bR)-3-benzyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one?
The InChIKey is HKYZORIGQNIHOO-SUMWQHHRSA-N. The full InChI is InChI=1S/C17H15NO2/c19-16-14-8-4-5-9-15(14)17-18(16)13(11-20-17)10-12-6-2-1-3-7-12/h1-9,13,17H,10-11H2/t13-,17+/m0/s1.
What are the key properties of (3S,9bR)-3-benzyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one?
(3S,9bR)-3-benzyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one has a molecular weight of 265.31 g/mol, XLogP of 2.78, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,9bR)-3-benzyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one is sourced from PubChem (CID 10956434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).