9b-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one

C20H19NO2 — CID 23178312

IUPAC9b-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one
SMILESO=C1c2ccccc2C2(c3cccc4c3CCCC4)OCCN12
InChIInChI=1S/C20H19NO2/c22-19-16-9-3-4-10-18(16)20(21(19)12-13-23-20)17-11-5-7-14-6-1-2-8-15(14)17/h3-5,7,9-11H,1-2,6,8,12-13H2
InChIKeySEOOFPVGHQGTCO-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.25
Rot. Bonds1

About 9b-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one

9b-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one (PubChem CID 23178312) has the molecular formula C20H19NO2 and a molecular weight of 305.38 g/mol. Its IUPAC name is 9b-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one.

Molecular Properties

Compound Name9b-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one
PubChem CID23178312
Molecular FormulaC20H19NO2
Molecular Weight305.38 g/mol
Exact Mass305.14
IUPAC Name9b-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one
SMILESO=C1c2ccccc2C2(c3cccc4c3CCCC4)OCCN12
InChIInChI=1S/C20H19NO2/c22-19-16-9-3-4-10-18(16)20(21(19)12-13-23-20)17-11-5-7-14-6-1-2-8-15(14)17/h3-5,7,9-11H,1-2,6,8,12-13H2
InChIKeySEOOFPVGHQGTCO-UHFFFAOYSA-N
XLogP3.25
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

9b-phenyl-2,3-dihydro[1,3]oxazolo[2,3-a]isoindol-5(9bH)-one
CID 455106
10b-phenyl-3,4-dihydro-2H-[1,3]oxazino[2,3-a]isoindol-6-one
CID 455110
Isoindolinone scaffold, 53
CID 16090405
Isoindolinone scaffold, 28
CID 16090441
Isoindolinone scaffold, 57
CID 16090453
(3S-cis)-(+)-Tetrahydro-3,7a-diphenylpyrrolo[2,1-b]oxazol-5(6H)-one
CID 854037
(3S)-3-methyl-9b-phenyl-2,3-dihydrooxazolo[2,3-a]isoindol-5-one
CID 455114
Thiazoloisoindol-5-one deriv. 42
CID 455115
Isoindolinone scaffold, 21
CID 16090388
Isoindolinone scaffold, 44
CID 16090401
Isoindolinone scaffold, 20
CID 16090437
Isoindolinone scaffold, 26
CID 16090440

Frequently Asked Questions

What is the IUPAC name of 9b-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one?
The IUPAC name of 9b-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one (CID 23178312) is 9b-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one.
What is the SMILES notation for 9b-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one?
The canonical SMILES for 9b-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one is O=C1c2ccccc2C2(c3cccc4c3CCCC4)OCCN12.
What is the InChIKey of 9b-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one?
The InChIKey is SEOOFPVGHQGTCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19NO2/c22-19-16-9-3-4-10-18(16)20(21(19)12-13-23-20)17-11-5-7-14-6-1-2-8-15(14)17/h3-5,7,9-11H,1-2,6,8,12-13H2.
What are the key properties of 9b-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one?
9b-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one has a molecular weight of 305.38 g/mol, XLogP of 3.25, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9b-(5,6,7,8-tetrahydronaphthalen-1-yl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one is sourced from PubChem (CID 23178312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).