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

C15H16FNO3 — CID 153483178

IUPAC8-fluoro-9-methyl-5-propan-2-yl-6,10b-dihydro-5H-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione
SMILESCc1cc2c(cc1F)CC(C(C)C)N1C(=O)C(=O)OC21
InChIInChI=1S/C15H16FNO3/c1-7(2)12-6-9-5-11(16)8(3)4-10(9)14-17(12)13(18)15(19)20-14/h4-5,7,12,14H,6H2,1-3H3
InChIKeyZZKCOGOSENVDJH-UHFFFAOYSA-N
MW277.30 g/mol
LogP2.10
Rot. Bonds1

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

8-fluoro-9-methyl-5-propan-2-yl-6,10b-dihydro-5H-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione (PubChem CID 153483178) has the molecular formula C15H16FNO3 and a molecular weight of 277.30 g/mol. Its IUPAC name is 8-fluoro-9-methyl-5-propan-2-yl-6,10b-dihydro-5H-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione.

Molecular Properties

Compound Name8-fluoro-9-methyl-5-propan-2-yl-6,10b-dihydro-5H-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione
PubChem CID153483178
Molecular FormulaC15H16FNO3
Molecular Weight277.30 g/mol
Exact Mass277.11
IUPAC Name8-fluoro-9-methyl-5-propan-2-yl-6,10b-dihydro-5H-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione
SMILESCc1cc2c(cc1F)CC(C(C)C)N1C(=O)C(=O)OC21
InChIInChI=1S/C15H16FNO3/c1-7(2)12-6-9-5-11(16)8(3)4-10(9)14-17(12)13(18)15(19)20-14/h4-5,7,12,14H,6H2,1-3H3
InChIKeyZZKCOGOSENVDJH-UHFFFAOYSA-N
XLogP2.10
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.30
LogP ≤ 52.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-9-methyl-5-propan-2-yl-6,10b-dihydro-5H-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione?
The IUPAC name of 8-fluoro-9-methyl-5-propan-2-yl-6,10b-dihydro-5H-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione (CID 153483178) is 8-fluoro-9-methyl-5-propan-2-yl-6,10b-dihydro-5H-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione.
What is the SMILES notation for 8-fluoro-9-methyl-5-propan-2-yl-6,10b-dihydro-5H-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione?
The canonical SMILES for 8-fluoro-9-methyl-5-propan-2-yl-6,10b-dihydro-5H-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione is Cc1cc2c(cc1F)CC(C(C)C)N1C(=O)C(=O)OC21.
What is the InChIKey of 8-fluoro-9-methyl-5-propan-2-yl-6,10b-dihydro-5H-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione?
The InChIKey is ZZKCOGOSENVDJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FNO3/c1-7(2)12-6-9-5-11(16)8(3)4-10(9)14-17(12)13(18)15(19)20-14/h4-5,7,12,14H,6H2,1-3H3.
What are the key properties of 8-fluoro-9-methyl-5-propan-2-yl-6,10b-dihydro-5H-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione?
8-fluoro-9-methyl-5-propan-2-yl-6,10b-dihydro-5H-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione has a molecular weight of 277.30 g/mol, XLogP of 2.10, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-9-methyl-5-propan-2-yl-6,10b-dihydro-5H-[1,3]oxazolo[2,3-a]isoquinoline-2,3-dione is sourced from PubChem (CID 153483178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).