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

C16H11Cl2NO2 — CID 14592318

IUPAC9b-(3,5-dichlorophenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one
SMILESO=C1c2ccccc2C2(c3cc(Cl)cc(Cl)c3)OCCN12
InChIInChI=1S/C16H11Cl2NO2/c17-11-7-10(8-12(18)9-11)16-14-4-2-1-3-13(14)15(20)19(16)5-6-21-16/h1-4,7-9H,5-6H2
InChIKeyNLCPOOAKIORVKC-UHFFFAOYSA-N
MW320.18 g/mol
LogP3.68
Rot. Bonds1

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

9b-(3,5-dichlorophenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one (PubChem CID 14592318) has the molecular formula C16H11Cl2NO2 and a molecular weight of 320.18 g/mol. Its IUPAC name is 9b-(3,5-dichlorophenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one.

Molecular Properties

Compound Name9b-(3,5-dichlorophenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one
PubChem CID14592318
Molecular FormulaC16H11Cl2NO2
Molecular Weight320.18 g/mol
Exact Mass319.02
IUPAC Name9b-(3,5-dichlorophenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one
SMILESO=C1c2ccccc2C2(c3cc(Cl)cc(Cl)c3)OCCN12
InChIInChI=1S/C16H11Cl2NO2/c17-11-7-10(8-12(18)9-11)16-14-4-2-1-3-13(14)15(20)19(16)5-6-21-16/h1-4,7-9H,5-6H2
InChIKeyNLCPOOAKIORVKC-UHFFFAOYSA-N
XLogP3.68
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.18
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 9b-(3,5-dichlorophenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one?
The IUPAC name of 9b-(3,5-dichlorophenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one (CID 14592318) is 9b-(3,5-dichlorophenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one.
What is the SMILES notation for 9b-(3,5-dichlorophenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one?
The canonical SMILES for 9b-(3,5-dichlorophenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one is O=C1c2ccccc2C2(c3cc(Cl)cc(Cl)c3)OCCN12.
What is the InChIKey of 9b-(3,5-dichlorophenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one?
The InChIKey is NLCPOOAKIORVKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO2/c17-11-7-10(8-12(18)9-11)16-14-4-2-1-3-13(14)15(20)19(16)5-6-21-16/h1-4,7-9H,5-6H2.
What are the key properties of 9b-(3,5-dichlorophenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one?
9b-(3,5-dichlorophenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one has a molecular weight of 320.18 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 9b-(3,5-dichlorophenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one is sourced from PubChem (CID 14592318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).