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

C22H17NO2 — CID 11088722

IUPAC(3S,9bR)-3,9b-diphenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one
SMILESO=C1c2ccccc2[C@@]2(c3ccccc3)OC[C@H](c3ccccc3)N12
InChIInChI=1S/C22H17NO2/c24-21-18-13-7-8-14-19(18)22(17-11-5-2-6-12-17)23(21)20(15-25-22)16-9-3-1-4-10-16/h1-14,20H,15H2/t20-,22-/m1/s1
InChIKeyLOZXMUZWDKIXJH-IFMALSPDSA-N
MW327.38 g/mol
LogP4.11
Rot. Bonds2

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

(3S,9bR)-3,9b-diphenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one (PubChem CID 11088722) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is (3S,9bR)-3,9b-diphenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one.

Molecular Properties

Compound Name(3S,9bR)-3,9b-diphenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one
PubChem CID11088722
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC Name(3S,9bR)-3,9b-diphenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one
SMILESO=C1c2ccccc2[C@@]2(c3ccccc3)OC[C@H](c3ccccc3)N12
InChIInChI=1S/C22H17NO2/c24-21-18-13-7-8-14-19(18)22(17-11-5-2-6-12-17)23(21)20(15-25-22)16-9-3-1-4-10-16/h1-14,20H,15H2/t20-,22-/m1/s1
InChIKeyLOZXMUZWDKIXJH-IFMALSPDSA-N
XLogP4.11
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (3S,9bR)-3,9b-diphenyl-2,3-dihydro-[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
3-Benzyl-3-hydroxy-2-(3-morpholin-4-ylpropyl)isoindolin-1-one
CID 623769
MS-2764
CID 3796131
(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, 13
CID 16090434
Isoindolinone scaffold, 28
CID 16090441
Isoindolinone scaffold, 57
CID 16090453
2-[(3R,5S,6R)-5-amino-6-(2,5-difluorophenyl)oxan-3-yl]-3H-isoindol-1-one
CID 73347698
3-Benzyl-3-hydroxy-2-(1-phenylethyl)isoindol-1-one
CID 590523

Frequently Asked Questions

What is the IUPAC name of (3S,9bR)-3,9b-diphenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one?
The IUPAC name of (3S,9bR)-3,9b-diphenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one (CID 11088722) is (3S,9bR)-3,9b-diphenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one.
What is the SMILES notation for (3S,9bR)-3,9b-diphenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one?
The canonical SMILES for (3S,9bR)-3,9b-diphenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one is O=C1c2ccccc2[C@@]2(c3ccccc3)OC[C@H](c3ccccc3)N12.
What is the InChIKey of (3S,9bR)-3,9b-diphenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one?
The InChIKey is LOZXMUZWDKIXJH-IFMALSPDSA-N. The full InChI is InChI=1S/C22H17NO2/c24-21-18-13-7-8-14-19(18)22(17-11-5-2-6-12-17)23(21)20(15-25-22)16-9-3-1-4-10-16/h1-14,20H,15H2/t20-,22-/m1/s1.
What are the key properties of (3S,9bR)-3,9b-diphenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one?
(3S,9bR)-3,9b-diphenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one has a molecular weight of 327.38 g/mol, XLogP of 4.11, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,9bR)-3,9b-diphenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one is sourced from PubChem (CID 11088722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).