8,9-difluoro-5-methyl-6,10b-dihydro-5H-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione

C12H9F2NO3 — CID 11253793

IUPAC8,9-difluoro-5-methyl-6,10b-dihydro-5H-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione
SMILESCC1Cc2cc(F)c(F)cc2C2OC(=O)C(=O)N12
InChIInChI=1S/C12H9F2NO3/c1-5-2-6-3-8(13)9(14)4-7(6)11-15(5)10(16)12(17)18-11/h3-5,11H,2H2,1H3
InChIKeyQONWXOIUYJCZNK-UHFFFAOYSA-N
MW253.20 g/mol
LogP1.29
Rot. Bonds

About 8,9-difluoro-5-methyl-6,10b-dihydro-5H-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione

8,9-difluoro-5-methyl-6,10b-dihydro-5H-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione (PubChem CID 11253793) has the molecular formula C12H9F2NO3 and a molecular weight of 253.20 g/mol. Its IUPAC name is 8,9-difluoro-5-methyl-6,10b-dihydro-5H-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione.

Molecular Properties

Compound Name8,9-difluoro-5-methyl-6,10b-dihydro-5H-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione
PubChem CID11253793
Molecular FormulaC12H9F2NO3
Molecular Weight253.20 g/mol
Exact Mass253.06
IUPAC Name8,9-difluoro-5-methyl-6,10b-dihydro-5H-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione
SMILESCC1Cc2cc(F)c(F)cc2C2OC(=O)C(=O)N12
InChIInChI=1S/C12H9F2NO3/c1-5-2-6-3-8(13)9(14)4-7(6)11-15(5)10(16)12(17)18-11/h3-5,11H,2H2,1H3
InChIKeyQONWXOIUYJCZNK-UHFFFAOYSA-N
XLogP1.29
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.20
LogP ≤ 51.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Related Compounds

(1S,6S,8aR)-1-methyl-6-(3,4,5-trifluorophenyl)-6,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine-3,4-dione
CID 67370950
(1R,6S)-1-methyl-6-(3,4,5-trifluorophenyl)-6,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine-3,4-dione
CID 67371222
(1R,6S,8aR)-1-methyl-6-(3,4,5-trifluorophenyl)-6,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine-3,4-dione
CID 67372221
(1S,6S)-1-methyl-6-(3,4,5-trifluorophenyl)-6,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine-3,4-dione
CID 67373607
(1R,8aS)-6-(3,4-difluorophenyl)-1-methyl-6,7,8,8a-tetrahydro-1H-pyrrolo[2,1-c][1,4]oxazine-3,4-dione
CID 67374075
8-Fluoro-6,10b-dihydro-5H-oxazolo[2,3-a]isoquinoline-2,3-dione
CID 139461199
8-fluoro-9-methyl-5-propan-2-yl-6,10b-dihydro-5H-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione
CID 153483178
10-bromo-7-fluoro-6-methyl-6,10b-dihydro-5H-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione
CID 155399387
5,5-Dimethyl-9-(trifluoromethyl)-6,10b-dihydro-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione
CID 10804075
5,5-dimethyl-7,11b-dihydro-6H-[1,3]oxazolo[2,3-a][2]benzazepine-2,3-dione
CID 11021159
10b-Methyl-5,6-dihydro-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione
CID 18613770
4-ethyl-5,9b-dihydro-4H-1-oxa-3a-aza-cyclopenta[a]naphthalene-2,3-dione
CID 21584306

Frequently Asked Questions

What is the IUPAC name of 8,9-difluoro-5-methyl-6,10b-dihydro-5H-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione?
The IUPAC name of 8,9-difluoro-5-methyl-6,10b-dihydro-5H-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione (CID 11253793) is 8,9-difluoro-5-methyl-6,10b-dihydro-5H-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione.
What is the SMILES notation for 8,9-difluoro-5-methyl-6,10b-dihydro-5H-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione?
The canonical SMILES for 8,9-difluoro-5-methyl-6,10b-dihydro-5H-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione is CC1Cc2cc(F)c(F)cc2C2OC(=O)C(=O)N12.
What is the InChIKey of 8,9-difluoro-5-methyl-6,10b-dihydro-5H-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione?
The InChIKey is QONWXOIUYJCZNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F2NO3/c1-5-2-6-3-8(13)9(14)4-7(6)11-15(5)10(16)12(17)18-11/h3-5,11H,2H2,1H3.
What are the key properties of 8,9-difluoro-5-methyl-6,10b-dihydro-5H-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione?
8,9-difluoro-5-methyl-6,10b-dihydro-5H-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione has a molecular weight of 253.20 g/mol, XLogP of 1.29, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8,9-difluoro-5-methyl-6,10b-dihydro-5H-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione is sourced from PubChem (CID 11253793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).