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

C15H16N2O2 — CID 137405834

IUPAC(3R,4R)-4-(5H-imidazo[5,1-a]isoindol-5-yl)oxan-3-ol
SMILESO[C@H]1COCC[C@@H]1C1c2ccccc2-c2cncn21
InChIInChI=1S/C15H16N2O2/c18-14-8-19-6-5-12(14)15-11-4-2-1-3-10(11)13-7-16-9-17(13)15/h1-4,7,9,12,14-15,18H,5-6,8H2/t12-,14-,15?/m0/s1
InChIKeyWENBZVXOQQBSHR-XRJCJLGXSA-N
MW256.30 g/mol
LogP1.85
Rot. Bonds1

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

(3R,4R)-4-(5H-imidazo[5,1-a]isoindol-5-yl)oxan-3-ol (PubChem CID 137405834) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is (3R,4R)-4-(5H-imidazo[5,1-a]isoindol-5-yl)oxan-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-(5H-imidazo[5,1-a]isoindol-5-yl)oxan-3-ol
PubChem CID137405834
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name(3R,4R)-4-(5H-imidazo[5,1-a]isoindol-5-yl)oxan-3-ol
SMILESO[C@H]1COCC[C@@H]1C1c2ccccc2-c2cncn21
InChIInChI=1S/C15H16N2O2/c18-14-8-19-6-5-12(14)15-11-4-2-1-3-10(11)13-7-16-9-17(13)15/h1-4,7,9,12,14-15,18H,5-6,8H2/t12-,14-,15?/m0/s1
InChIKeyWENBZVXOQQBSHR-XRJCJLGXSA-N
XLogP1.85
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.30
LogP ≤ 51.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(3R,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-ol
CID 129282697
3-(5H-imidazo[5,1-a]isoindol-5-yl)oxepan-4-ol
CID 129282438
trans-(1R,2S)-2-(5H-imidazo[5,1-a]isoindol-5-yl)cyclobutan-1-ol
CID 137405919
trans-(1R,2S)-2-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]cycloheptan-1-ol
CID 129282542
5-(oxan-4-yl)-5H-imidazo[5,1-a]isoindole
CID 137374520
(2R,3R)-2-(5H-imidazo[5,1-a]isoindol-5-yl)-7-oxaspiro[3.5]nonan-3-ol
CID 137405685
(3S,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-amine
CID 129282635
(3S,4S)-4-(5H-imidazo[5,1-a]isoindol-5-yl)-1-methylpiperidin-3-ol
CID 137405937
trans-(1R,5R)-5-(5H-imidazo[5,1-a]isoindol-5-yl)-2,2-dimethylcyclopentan-1-ol
CID 137405749
(1S,2S)-2-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-1,2,3,4-tetrahydronaphthalen-1-ol
CID 129282975
trans-(1S,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2-dimethylcyclobutan-1-ol
CID 129283118
trans-(1R,6R)-6-(5H-imidazo[5,1-a]isoindol-5-yl)-2,2-dimethylcyclohexan-1-ol
CID 137405870

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(5H-imidazo[5,1-a]isoindol-5-yl)oxan-3-ol?
The IUPAC name of (3R,4R)-4-(5H-imidazo[5,1-a]isoindol-5-yl)oxan-3-ol (CID 137405834) is (3R,4R)-4-(5H-imidazo[5,1-a]isoindol-5-yl)oxan-3-ol.
What is the SMILES notation for (3R,4R)-4-(5H-imidazo[5,1-a]isoindol-5-yl)oxan-3-ol?
The canonical SMILES for (3R,4R)-4-(5H-imidazo[5,1-a]isoindol-5-yl)oxan-3-ol is O[C@H]1COCC[C@@H]1C1c2ccccc2-c2cncn21.
What is the InChIKey of (3R,4R)-4-(5H-imidazo[5,1-a]isoindol-5-yl)oxan-3-ol?
The InChIKey is WENBZVXOQQBSHR-XRJCJLGXSA-N. The full InChI is InChI=1S/C15H16N2O2/c18-14-8-19-6-5-12(14)15-11-4-2-1-3-10(11)13-7-16-9-17(13)15/h1-4,7,9,12,14-15,18H,5-6,8H2/t12-,14-,15?/m0/s1.
What are the key properties of (3R,4R)-4-(5H-imidazo[5,1-a]isoindol-5-yl)oxan-3-ol?
(3R,4R)-4-(5H-imidazo[5,1-a]isoindol-5-yl)oxan-3-ol has a molecular weight of 256.30 g/mol, XLogP of 1.85, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(5H-imidazo[5,1-a]isoindol-5-yl)oxan-3-ol is sourced from PubChem (CID 137405834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).