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

C15H16N2O2 — CID 129282689

IUPAC(3S,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxan-3-ol
SMILESO[C@@H]1COCC[C@H]1[C@H]1c2ccccc2-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-/m1/s1
InChIKeyWENBZVXOQQBSHR-BPLDGKMQSA-N
MW256.30 g/mol
LogP1.85
Rot. Bonds1

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

(3S,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxan-3-ol (PubChem CID 129282689) has the molecular formula C15H16N2O2 and a molecular weight of 256.30 g/mol. Its IUPAC name is (3S,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxan-3-ol.

Molecular Properties

Compound Name(3S,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxan-3-ol
PubChem CID129282689
Molecular FormulaC15H16N2O2
Molecular Weight256.30 g/mol
Exact Mass256.12
IUPAC Name(3S,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxan-3-ol
SMILESO[C@@H]1COCC[C@H]1[C@H]1c2ccccc2-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-/m1/s1
InChIKeyWENBZVXOQQBSHR-BPLDGKMQSA-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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Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxan-3-ol?
The IUPAC name of (3S,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxan-3-ol (CID 129282689) is (3S,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxan-3-ol.
What is the SMILES notation for (3S,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxan-3-ol?
The canonical SMILES for (3S,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxan-3-ol is O[C@@H]1COCC[C@H]1[C@H]1c2ccccc2-c2cncn21.
What is the InChIKey of (3S,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxan-3-ol?
The InChIKey is WENBZVXOQQBSHR-BPLDGKMQSA-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-/m1/s1.
What are the key properties of (3S,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxan-3-ol?
(3S,4S)-4-[(5S)-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 (3S,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxan-3-ol is sourced from PubChem (CID 129282689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).