(5S,10bS)-9-fluoro-5-phenyl-1,5,6,10b-tetrahydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one

C17H14FNO2 — CID 164675901

IUPAC(5S,10bS)-9-fluoro-5-phenyl-1,5,6,10b-tetrahydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one
SMILESO=C1OC[C@@H]2c3cc(F)ccc3C[C@@H](c3ccccc3)N12
InChIInChI=1S/C17H14FNO2/c18-13-7-6-12-8-15(11-4-2-1-3-5-11)19-16(14(12)9-13)10-21-17(19)20/h1-7,9,15-16H,8,10H2/t15-,16+/m0/s1
InChIKeyLOWRJKMESIYEOZ-JKSUJKDBSA-N
MW283.30 g/mol
LogP3.62
Rot. Bonds1

About (5S,10bS)-9-fluoro-5-phenyl-1,5,6,10b-tetrahydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one

(5S,10bS)-9-fluoro-5-phenyl-1,5,6,10b-tetrahydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one (PubChem CID 164675901) has the molecular formula C17H14FNO2 and a molecular weight of 283.30 g/mol. Its IUPAC name is (5S,10bS)-9-fluoro-5-phenyl-1,5,6,10b-tetrahydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one.

Molecular Properties

Compound Name(5S,10bS)-9-fluoro-5-phenyl-1,5,6,10b-tetrahydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one
PubChem CID164675901
Molecular FormulaC17H14FNO2
Molecular Weight283.30 g/mol
Exact Mass283.10
IUPAC Name(5S,10bS)-9-fluoro-5-phenyl-1,5,6,10b-tetrahydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one
SMILESO=C1OC[C@@H]2c3cc(F)ccc3C[C@@H](c3ccccc3)N12
InChIInChI=1S/C17H14FNO2/c18-13-7-6-12-8-15(11-4-2-1-3-5-11)19-16(14(12)9-13)10-21-17(19)20/h1-7,9,15-16H,8,10H2/t15-,16+/m0/s1
InChIKeyLOWRJKMESIYEOZ-JKSUJKDBSA-N
XLogP3.62
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 ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (5S,10bS)-9-fluoro-5-phenyl-1,5,6,10b-tetrahydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1,1,10b-Trimethyl-1,5,6,10b-tetrahydro[1,3]oxazolo[4,3-a]isoquinolin-3-one
CID 589400
5H-Dibenzo(a,d)cyclohepten-5,10-imine-12-carboxylic acid, 10,11-dihydro-, ethyl ester, (+-)-
CID 3039380
(7aS)-6-(2,5-difluorophenyl)-7a-phenyl-1,5-dihydropyrrolo[1,2-c][1,3]oxazol-3-one
CID 58974220
1-Ethyl-1,10b-dimethyl-1,5,6,10b-tetrahydro-oxazolo[4,3-a]isoquinolin-3-one
CID 589401
3H-Oxazolo[3,4-b]isoquinolin-3-one, 1,5,10,10a-tetrahydro-
CID 10655260
(4S)-3-[2-(2,5-difluorophenyl)prop-2-enyl]-4-ethenyl-4-phenyl-1,3-oxazolidin-2-one
CID 134951393
(4R)-3-benzyl-4-phenyl-1,3-oxazolidin-2-one
CID 11357228
phenyl N-benzyloxazolidinone
CID 14091547
1,5,6,10b-Tetrahydrooxazolo[4,3-a]isoquinolin-3-one
CID 129870050
(4R,5S)-3-benzyl-4-phenyl-5-(trifluoromethyl)-1,3-oxazolidin-2-one
CID 100998256
(5R,7aS)-7-(2,5-difluorophenyl)-5-phenyl-5,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
CID 11483801
7-(2,5-difluorophenyl)-5-phenyl-5,7a-dihydro-1H-pyrrolo[1,2-c][1,3]oxazol-3-one
CID 11483802

Frequently Asked Questions

What is the IUPAC name of (5S,10bS)-9-fluoro-5-phenyl-1,5,6,10b-tetrahydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one?
The IUPAC name of (5S,10bS)-9-fluoro-5-phenyl-1,5,6,10b-tetrahydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one (CID 164675901) is (5S,10bS)-9-fluoro-5-phenyl-1,5,6,10b-tetrahydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one.
What is the SMILES notation for (5S,10bS)-9-fluoro-5-phenyl-1,5,6,10b-tetrahydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one?
The canonical SMILES for (5S,10bS)-9-fluoro-5-phenyl-1,5,6,10b-tetrahydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one is O=C1OC[C@@H]2c3cc(F)ccc3C[C@@H](c3ccccc3)N12.
What is the InChIKey of (5S,10bS)-9-fluoro-5-phenyl-1,5,6,10b-tetrahydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one?
The InChIKey is LOWRJKMESIYEOZ-JKSUJKDBSA-N. The full InChI is InChI=1S/C17H14FNO2/c18-13-7-6-12-8-15(11-4-2-1-3-5-11)19-16(14(12)9-13)10-21-17(19)20/h1-7,9,15-16H,8,10H2/t15-,16+/m0/s1.
What are the key properties of (5S,10bS)-9-fluoro-5-phenyl-1,5,6,10b-tetrahydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one?
(5S,10bS)-9-fluoro-5-phenyl-1,5,6,10b-tetrahydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one has a molecular weight of 283.30 g/mol, XLogP of 3.62, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,10bS)-9-fluoro-5-phenyl-1,5,6,10b-tetrahydro-[1,3]oxazolo[4,3-a]isoquinolin-3-one is sourced from PubChem (CID 164675901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).