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

C22H17NO2 — CID 54857270

IUPAC3,9b-diphenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one
SMILESO=C1c2ccccc2C2(c3ccccc3)OCC(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
InChIKeyLOZXMUZWDKIXJH-UHFFFAOYSA-N
MW327.38 g/mol
LogP4.11
Rot. Bonds2

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

3,9b-diphenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one (PubChem CID 54857270) has the molecular formula C22H17NO2 and a molecular weight of 327.38 g/mol. Its IUPAC name is 3,9b-diphenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one.

Molecular Properties

Compound Name3,9b-diphenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one
PubChem CID54857270
Molecular FormulaC22H17NO2
Molecular Weight327.38 g/mol
Exact Mass327.13
IUPAC Name3,9b-diphenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one
SMILESO=C1c2ccccc2C2(c3ccccc3)OCC(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
InChIKeyLOZXMUZWDKIXJH-UHFFFAOYSA-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

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Related Compounds

(2R,5R)-2-methyl-5-phenyl-3-oxa-6-azatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),8,10,12,14,16-hexaen-7-one
CID 11439257
2-benzyl-5-phenyl-3-oxa-6-azatetracyclo[12.4.0.02,6.08,13]octadeca-1(18),8,10,12,14,16-hexaen-7-one
CID 102587384
3-hydroxy-2-(4-methylcyclohexyl)-3-phenylisoindol-1-one
CID 5305502
(3S,7aR)-7a-methyl-3,6-diphenyl-2,3-dihydropyrrolo[2,1-b][1,3]oxazol-5-one
CID 11022657
(3R,8aR)-3,8a-diphenyl-6,6-bis(prop-2-enyl)-2,3,7,8-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-5-one
CID 11595898
(1R,10R,14R)-14-phenyl-16-oxa-13-azatetracyclo[8.6.0.01,13.02,7]hexadeca-2,4,6-trien-12-one
CID 10638299
(3R,6R,8aR)-6-benzyl-3,8a-diphenyl-3,6,7,8-tetrahydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one
CID 11552713
9b-(4-methylphenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one
CID 14592315
(3S,8aR)-8a-methyl-3-phenyl-3,8-dihydro-2H-[1,3]oxazolo[3,2-a]pyridin-5-one
CID 10966283
(2R,3R,3'S,7'aR)-7'a-methyl-2,3'-diphenylspiro[1,2-dihydroindole-3,6'-3,7-dihydro-2H-pyrrolo[2,1-b][1,3]oxazole]-5'-one
CID 102430692
(3R,8R,8aR)-6,6,8-triethyl-3,8a-diphenyl-2,3,7,8-tetrahydro-[1,3]oxazolo[3,2-a]pyridin-5-one
CID 11703557
(3S,7aS)-3,7a-diphenyl-3,5,6,7-tetrahydro-2H-pyrrolo[2,1-b][1,3]oxazole
CID 101053645

Frequently Asked Questions

What is the IUPAC name of 3,9b-diphenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one?
The IUPAC name of 3,9b-diphenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one (CID 54857270) is 3,9b-diphenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one.
What is the SMILES notation for 3,9b-diphenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one?
The canonical SMILES for 3,9b-diphenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one is O=C1c2ccccc2C2(c3ccccc3)OCC(c3ccccc3)N12.
What is the InChIKey of 3,9b-diphenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one?
The InChIKey is LOZXMUZWDKIXJH-UHFFFAOYSA-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.
What are the key properties of 3,9b-diphenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one?
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 3,9b-diphenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one is sourced from PubChem (CID 54857270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).