7,8-dichloro-9b-phenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one

C16H11Cl2NO2 — CID 23178311

IUPAC7,8-dichloro-9b-phenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one
SMILESO=C1c2cc(Cl)c(Cl)cc2C2(c3ccccc3)OCCN12
InChIInChI=1S/C16H11Cl2NO2/c17-13-8-11-12(9-14(13)18)16(10-4-2-1-3-5-10)19(15(11)20)6-7-21-16/h1-5,8-9H,6-7H2
InChIKeyMNORPIUBVXYDAZ-UHFFFAOYSA-N
MW320.18 g/mol
LogP3.68
Rot. Bonds1

About 7,8-dichloro-9b-phenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one

7,8-dichloro-9b-phenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one (PubChem CID 23178311) has the molecular formula C16H11Cl2NO2 and a molecular weight of 320.18 g/mol. Its IUPAC name is 7,8-dichloro-9b-phenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one.

Molecular Properties

Compound Name7,8-dichloro-9b-phenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one
PubChem CID23178311
Molecular FormulaC16H11Cl2NO2
Molecular Weight320.18 g/mol
Exact Mass319.02
IUPAC Name7,8-dichloro-9b-phenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one
SMILESO=C1c2cc(Cl)c(Cl)cc2C2(c3ccccc3)OCCN12
InChIInChI=1S/C16H11Cl2NO2/c17-13-8-11-12(9-14(13)18)16(10-4-2-1-3-5-10)19(15(11)20)6-7-21-16/h1-5,8-9H,6-7H2
InChIKeyMNORPIUBVXYDAZ-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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Related Compounds

9b-phenyl-2,3-dihydro[1,3]oxazolo[2,3-a]isoindol-5(9bH)-one
CID 455106
2-[2-(4-chlorophenyl)ethyl]-3-methoxy-2,3-dihydro-1H-isoindol-1-one
CID 5002944
(3S)-3-methyl-9b-phenyl-2,3-dihydrooxazolo[2,3-a]isoindol-5-one
CID 455114
Thiazoloisoindol-5-one deriv. 42
CID 455115
3-(4-Chlorophenyl)-3-(3-hydroxypropoxy)-2-propylisoindol-1-one
CID 16090463
2-(1,3-dioxo-1,3-dihydro-2H-isoindol-2-yl)ethyl 3,4-dichlorobenzoate
CID 1186676
(2R,9bR)-2-methyl-9b-phenyl-2H,3H,5H,9bH-isoindolo[1,2-b][1,3]oxazol-5-one
CID 5327602
Thiazoloisoindol-5-one deriv. 40
CID 5327603
2-Methyl-9b-phenyl-2,3-dihydrooxazolo[2,3-a]isoindol-5-one
CID 455113
3-phenyl-3,9b-dihydro-2H-[1,3]oxazolo[2,3-a]isoindol-5-one
CID 3692665
(2R,7aR)-7a-(4-chlorophenyl)-2-(2-phenylethyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one
CID 10569277
(2S,7aR)-7a-(4-chlorophenyl)-2-(2-phenylethyl)-2,3,6,7-tetrahydropyrrolo[2,1-b][1,3]oxazol-5-one
CID 10641021

Frequently Asked Questions

What is the IUPAC name of 7,8-dichloro-9b-phenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one?
The IUPAC name of 7,8-dichloro-9b-phenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one (CID 23178311) is 7,8-dichloro-9b-phenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one.
What is the SMILES notation for 7,8-dichloro-9b-phenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one?
The canonical SMILES for 7,8-dichloro-9b-phenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one is O=C1c2cc(Cl)c(Cl)cc2C2(c3ccccc3)OCCN12.
What is the InChIKey of 7,8-dichloro-9b-phenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one?
The InChIKey is MNORPIUBVXYDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11Cl2NO2/c17-13-8-11-12(9-14(13)18)16(10-4-2-1-3-5-10)19(15(11)20)6-7-21-16/h1-5,8-9H,6-7H2.
What are the key properties of 7,8-dichloro-9b-phenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one?
7,8-dichloro-9b-phenyl-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 7,8-dichloro-9b-phenyl-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one is sourced from PubChem (CID 23178311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).