8-fluoro-9b-(4-methylphenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one

C17H14FNO2 — CID 23178382

IUPAC8-fluoro-9b-(4-methylphenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one
SMILESCc1ccc(C23OCCN2C(=O)c2ccc(F)cc23)cc1
InChIInChI=1S/C17H14FNO2/c1-11-2-4-12(5-3-11)17-15-10-13(18)6-7-14(15)16(20)19(17)8-9-21-17/h2-7,10H,8-9H2,1H3
InChIKeyOZXWHEHVFNKYJB-UHFFFAOYSA-N
MW283.30 g/mol
LogP2.82
Rot. Bonds1

About 8-fluoro-9b-(4-methylphenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one

8-fluoro-9b-(4-methylphenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one (PubChem CID 23178382) has the molecular formula C17H14FNO2 and a molecular weight of 283.30 g/mol. Its IUPAC name is 8-fluoro-9b-(4-methylphenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one.

Molecular Properties

Compound Name8-fluoro-9b-(4-methylphenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one
PubChem CID23178382
Molecular FormulaC17H14FNO2
Molecular Weight283.30 g/mol
Exact Mass283.10
IUPAC Name8-fluoro-9b-(4-methylphenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one
SMILESCc1ccc(C23OCCN2C(=O)c2ccc(F)cc23)cc1
InChIInChI=1S/C17H14FNO2/c1-11-2-4-12(5-3-11)17-15-10-13(18)6-7-14(15)16(20)19(17)8-9-21-17/h2-7,10H,8-9H2,1H3
InChIKeyOZXWHEHVFNKYJB-UHFFFAOYSA-N
XLogP2.82
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.30
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 8-fluoro-9b-(4-methylphenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one?
The IUPAC name of 8-fluoro-9b-(4-methylphenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one (CID 23178382) is 8-fluoro-9b-(4-methylphenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one.
What is the SMILES notation for 8-fluoro-9b-(4-methylphenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one?
The canonical SMILES for 8-fluoro-9b-(4-methylphenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one is Cc1ccc(C23OCCN2C(=O)c2ccc(F)cc23)cc1.
What is the InChIKey of 8-fluoro-9b-(4-methylphenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one?
The InChIKey is OZXWHEHVFNKYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FNO2/c1-11-2-4-12(5-3-11)17-15-10-13(18)6-7-14(15)16(20)19(17)8-9-21-17/h2-7,10H,8-9H2,1H3.
What are the key properties of 8-fluoro-9b-(4-methylphenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one?
8-fluoro-9b-(4-methylphenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one has a molecular weight of 283.30 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-fluoro-9b-(4-methylphenyl)-2,3-dihydro-[1,3]oxazolo[2,3-a]isoindol-5-one is sourced from PubChem (CID 23178382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).