[(2R,5S)-5-(1H-imidazol-2-yl)oxolan-2-yl]methanamine

C8H13N3O — CID 91396399

IUPAC[(2R,5S)-5-(1H-imidazol-2-yl)oxolan-2-yl]methanamine
SMILESNC[C@H]1CC[C@@H](c2ncc[nH]2)O1
InChIInChI=1S/C8H13N3O/c9-5-6-1-2-7(12-6)8-10-3-4-11-8/h3-4,6-7H,1-2,5,9H2,(H,10,11)/t6-,7+/m1/s1
InChIKeyWHKSNUKEXRRTJJ-RQJHMYQMSA-N
MW167.21 g/mol
LogP0.59
Rot. Bonds2

About [(2R,5S)-5-(1H-imidazol-2-yl)oxolan-2-yl]methanamine

[(2R,5S)-5-(1H-imidazol-2-yl)oxolan-2-yl]methanamine (PubChem CID 91396399) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is [(2R,5S)-5-(1H-imidazol-2-yl)oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[(2R,5S)-5-(1H-imidazol-2-yl)oxolan-2-yl]methanamine
PubChem CID91396399
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name[(2R,5S)-5-(1H-imidazol-2-yl)oxolan-2-yl]methanamine
SMILESNC[C@H]1CC[C@@H](c2ncc[nH]2)O1
InChIInChI=1S/C8H13N3O/c9-5-6-1-2-7(12-6)8-10-3-4-11-8/h3-4,6-7H,1-2,5,9H2,(H,10,11)/t6-,7+/m1/s1
InChIKeyWHKSNUKEXRRTJJ-RQJHMYQMSA-N
XLogP0.59
TPSA63.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1H-imidazol-2-yl)morpholine
CID 82595193
2-[(2S,4R)-4-methoxypyrrolidin-2-yl]-1H-imidazole dihydrochloride
CID 122154726
2-(4-Methoxypyrrolidin-2-yl)-1H-imidazole dihydrochloride
CID 132327664
rac-(2R,3R)-2-(1-methyl-1H-imidazol-2-yl)oxolan-3-amine dihydrochloride
CID 137833651
Hydroxybutyl imidazole
CID 22934504
2-(oxiran-2-yl)-1H-imidazole
CID 53992423
Ribosylimidazole
CID 54218256
2-(1-methoxyethyl)-3-methyl-1H-imidazol-3-ium
CID 69811396
5-Imidazolyl-2-isoxazoline
CID 129739144
Tetrahydroxybutylimidazole
CID 129829215
N-propyl-N-(tetrahydrofuran-2-ylmethyl)-1H-imidazole-2-carboxamide
CID 56749755
2-(1-Ethoxyethyl)-1-(oxolan-2-ylmethyl)imidazole
CID 86793090

Frequently Asked Questions

What is the IUPAC name of [(2R,5S)-5-(1H-imidazol-2-yl)oxolan-2-yl]methanamine?
The IUPAC name of [(2R,5S)-5-(1H-imidazol-2-yl)oxolan-2-yl]methanamine (CID 91396399) is [(2R,5S)-5-(1H-imidazol-2-yl)oxolan-2-yl]methanamine.
What is the SMILES notation for [(2R,5S)-5-(1H-imidazol-2-yl)oxolan-2-yl]methanamine?
The canonical SMILES for [(2R,5S)-5-(1H-imidazol-2-yl)oxolan-2-yl]methanamine is NC[C@H]1CC[C@@H](c2ncc[nH]2)O1.
What is the InChIKey of [(2R,5S)-5-(1H-imidazol-2-yl)oxolan-2-yl]methanamine?
The InChIKey is WHKSNUKEXRRTJJ-RQJHMYQMSA-N. The full InChI is InChI=1S/C8H13N3O/c9-5-6-1-2-7(12-6)8-10-3-4-11-8/h3-4,6-7H,1-2,5,9H2,(H,10,11)/t6-,7+/m1/s1.
What are the key properties of [(2R,5S)-5-(1H-imidazol-2-yl)oxolan-2-yl]methanamine?
[(2R,5S)-5-(1H-imidazol-2-yl)oxolan-2-yl]methanamine has a molecular weight of 167.21 g/mol, XLogP of 0.59, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5S)-5-(1H-imidazol-2-yl)oxolan-2-yl]methanamine is sourced from PubChem (CID 91396399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).