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

C14H15N3O — CID 129282635

IUPAC(3S,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-amine
SMILESN[C@@H]1COC[C@@H]1[C@H]1c2ccccc2-c2cncn21
InChIInChI=1S/C14H15N3O/c15-12-7-18-6-11(12)14-10-4-2-1-3-9(10)13-5-16-8-17(13)14/h1-5,8,11-12,14H,6-7,15H2/t11-,12+,14+/m0/s1
InChIKeyXMZBSRXSWHCYAI-OUCADQQQSA-N
MW241.29 g/mol
LogP1.43
Rot. Bonds1

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

(3S,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-amine (PubChem CID 129282635) has the molecular formula C14H15N3O and a molecular weight of 241.29 g/mol. Its IUPAC name is (3S,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-amine.

Molecular Properties

Compound Name(3S,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-amine
PubChem CID129282635
Molecular FormulaC14H15N3O
Molecular Weight241.29 g/mol
Exact Mass241.12
IUPAC Name(3S,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-amine
SMILESN[C@@H]1COC[C@@H]1[C@H]1c2ccccc2-c2cncn21
InChIInChI=1S/C14H15N3O/c15-12-7-18-6-11(12)14-10-4-2-1-3-9(10)13-5-16-8-17(13)14/h1-5,8,11-12,14H,6-7,15H2/t11-,12+,14+/m0/s1
InChIKeyXMZBSRXSWHCYAI-OUCADQQQSA-N
XLogP1.43
TPSA53.07 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.29
LogP ≤ 51.43
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
(3R,4R)-4-(5H-imidazo[5,1-a]isoindol-5-yl)oxan-3-ol
CID 137405834
5-(oxan-4-yl)-5H-imidazo[5,1-a]isoindole
CID 137374520
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
(2R,3R)-2-(5H-imidazo[5,1-a]isoindol-5-yl)-7-oxaspiro[3.5]nonan-3-ol
CID 137405685
5-(3,3-dimethylcyclobutyl)-5H-imidazo[5,1-a]isoindole
CID 137374403
trans-(1S,4S)-4-[(5R)-5H-imidazo[5,1-a]isoindol-5-yl]-2,2-dimethylcyclobutan-1-ol
CID 129283118
5-cyclohexyl-5H-imidazo[5,1-a]isoindole
CID 137374390
2-(5H-imidazo[5,1-a]isoindol-5-yl)-7-(oxetan-3-ylsulfanyl)-7-azaspiro[3.5]nonan-3-ol
CID 142510327
trans-(1R,5R)-5-(5H-imidazo[5,1-a]isoindol-5-yl)-2,2-dimethylcyclopentan-1-ol
CID 137405749

Frequently Asked Questions

What is the IUPAC name of (3S,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-amine?
The IUPAC name of (3S,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-amine (CID 129282635) is (3S,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-amine.
What is the SMILES notation for (3S,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-amine?
The canonical SMILES for (3S,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-amine is N[C@@H]1COC[C@@H]1[C@H]1c2ccccc2-c2cncn21.
What is the InChIKey of (3S,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-amine?
The InChIKey is XMZBSRXSWHCYAI-OUCADQQQSA-N. The full InChI is InChI=1S/C14H15N3O/c15-12-7-18-6-11(12)14-10-4-2-1-3-9(10)13-5-16-8-17(13)14/h1-5,8,11-12,14H,6-7,15H2/t11-,12+,14+/m0/s1.
What are the key properties of (3S,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-amine?
(3S,4S)-4-[(5S)-5H-imidazo[5,1-a]isoindol-5-yl]oxolan-3-amine has a molecular weight of 241.29 g/mol, XLogP of 1.43, 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]oxolan-3-amine is sourced from PubChem (CID 129282635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).