(3S,4S)-3-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)oxan-4-ol

C15H15FN2O2 — CID 137405934

IUPAC(3S,4S)-3-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)oxan-4-ol
SMILESO[C@H]1CCOC[C@@H]1C1c2ccc(F)cc2-c2cncn21
InChIInChI=1S/C15H15FN2O2/c16-9-1-2-10-11(5-9)13-6-17-8-18(13)15(10)12-7-20-4-3-14(12)19/h1-2,5-6,8,12,14-15,19H,3-4,7H2/t12-,14-,15?/m0/s1
InChIKeyRBRZVLDCEXDXTQ-XRJCJLGXSA-N
MW274.29 g/mol
LogP1.99
Rot. Bonds1

About (3S,4S)-3-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)oxan-4-ol

(3S,4S)-3-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)oxan-4-ol (PubChem CID 137405934) has the molecular formula C15H15FN2O2 and a molecular weight of 274.29 g/mol. Its IUPAC name is (3S,4S)-3-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)oxan-4-ol.

Molecular Properties

Compound Name(3S,4S)-3-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)oxan-4-ol
PubChem CID137405934
Molecular FormulaC15H15FN2O2
Molecular Weight274.29 g/mol
Exact Mass274.11
IUPAC Name(3S,4S)-3-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)oxan-4-ol
SMILESO[C@H]1CCOC[C@@H]1C1c2ccc(F)cc2-c2cncn21
InChIInChI=1S/C15H15FN2O2/c16-9-1-2-10-11(5-9)13-6-17-8-18(13)15(10)12-7-20-4-3-14(12)19/h1-2,5-6,8,12,14-15,19H,3-4,7H2/t12-,14-,15?/m0/s1
InChIKeyRBRZVLDCEXDXTQ-XRJCJLGXSA-N
XLogP1.99
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.29
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S,4S)-3-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)oxan-4-ol with MolForge

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Related Compounds

2-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)cyclohexan-1-ol
CID 129282641
(2S,3S)-2-[(5R)-8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl]-7-oxaspiro[3.5]nonan-3-ol
CID 129296931
(4R)-3-[(5S)-6-chloro-5H-imidazo[5,1-a]isoindol-5-yl]oxan-4-ol
CID 129296684
3-(5H-imidazo[5,1-a]isoindol-5-yl)oxepan-4-ol
CID 129282438
(7S,8S)-7-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-5,6,7,8-tetrahydroisoquinolin-8-ol
CID 137405900
(3R,4R)-4-(5H-imidazo[5,1-a]isoindol-5-yl)oxan-3-ol
CID 137405834
8-fluoro-5-[1-(oxan-4-ylsulfonyl)piperidin-4-yl]-5H-imidazo[5,1-a]isoindole
CID 148872302
(3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol
CID 129282697
5-[1-(azetidin-1-ylsulfonyl)piperidin-4-yl]-8-fluoro-5H-imidazo[5,1-a]isoindole
CID 137374431
(3S,4R)-4-[(5S)-7-methyl-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol
CID 129282768
(3S,4R)-4-[(5R)-7-methyl-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol
CID 129282480
3-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)-1-methylsulfonylpiperidine-4-carboxylic acid
CID 175231336

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-3-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)oxan-4-ol?
The IUPAC name of (3S,4S)-3-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)oxan-4-ol (CID 137405934) is (3S,4S)-3-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)oxan-4-ol.
What is the SMILES notation for (3S,4S)-3-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)oxan-4-ol?
The canonical SMILES for (3S,4S)-3-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)oxan-4-ol is O[C@H]1CCOC[C@@H]1C1c2ccc(F)cc2-c2cncn21.
What is the InChIKey of (3S,4S)-3-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)oxan-4-ol?
The InChIKey is RBRZVLDCEXDXTQ-XRJCJLGXSA-N. The full InChI is InChI=1S/C15H15FN2O2/c16-9-1-2-10-11(5-9)13-6-17-8-18(13)15(10)12-7-20-4-3-14(12)19/h1-2,5-6,8,12,14-15,19H,3-4,7H2/t12-,14-,15?/m0/s1.
What are the key properties of (3S,4S)-3-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)oxan-4-ol?
(3S,4S)-3-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)oxan-4-ol has a molecular weight of 274.29 g/mol, XLogP of 1.99, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S)-3-(8-fluoro-5H-imidazo[5,1-a]isoindol-5-yl)oxan-4-ol is sourced from PubChem (CID 137405934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).