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

C8H13N3O — CID 10419556

IUPAC[(2R,5S)-5-(1H-imidazol-5-yl)oxolan-2-yl]methanamine
SMILESNC[C@H]1CC[C@@H](c2cnc[nH]2)O1
InChIInChI=1S/C8H13N3O/c9-3-6-1-2-8(12-6)7-4-10-5-11-7/h4-6,8H,1-3,9H2,(H,10,11)/t6-,8+/m1/s1
InChIKeyKWWHIDCVULQSFZ-SVRRBLITSA-N
MW167.21 g/mol
LogP0.59
Rot. Bonds2

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

[(2R,5S)-5-(1H-imidazol-5-yl)oxolan-2-yl]methanamine (PubChem CID 10419556) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is [(2R,5S)-5-(1H-imidazol-5-yl)oxolan-2-yl]methanamine.

Molecular Properties

Compound Name[(2R,5S)-5-(1H-imidazol-5-yl)oxolan-2-yl]methanamine
PubChem CID10419556
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name[(2R,5S)-5-(1H-imidazol-5-yl)oxolan-2-yl]methanamine
SMILESNC[C@H]1CC[C@@H](c2cnc[nH]2)O1
InChIInChI=1S/C8H13N3O/c9-3-6-1-2-8(12-6)7-4-10-5-11-7/h4-6,8H,1-3,9H2,(H,10,11)/t6-,8+/m1/s1
InChIKeyKWWHIDCVULQSFZ-SVRRBLITSA-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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Frequently Asked Questions

What is the IUPAC name of [(2R,5S)-5-(1H-imidazol-5-yl)oxolan-2-yl]methanamine?
The IUPAC name of [(2R,5S)-5-(1H-imidazol-5-yl)oxolan-2-yl]methanamine (CID 10419556) is [(2R,5S)-5-(1H-imidazol-5-yl)oxolan-2-yl]methanamine.
What is the SMILES notation for [(2R,5S)-5-(1H-imidazol-5-yl)oxolan-2-yl]methanamine?
The canonical SMILES for [(2R,5S)-5-(1H-imidazol-5-yl)oxolan-2-yl]methanamine is NC[C@H]1CC[C@@H](c2cnc[nH]2)O1.
What is the InChIKey of [(2R,5S)-5-(1H-imidazol-5-yl)oxolan-2-yl]methanamine?
The InChIKey is KWWHIDCVULQSFZ-SVRRBLITSA-N. The full InChI is InChI=1S/C8H13N3O/c9-3-6-1-2-8(12-6)7-4-10-5-11-7/h4-6,8H,1-3,9H2,(H,10,11)/t6-,8+/m1/s1.
What are the key properties of [(2R,5S)-5-(1H-imidazol-5-yl)oxolan-2-yl]methanamine?
[(2R,5S)-5-(1H-imidazol-5-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-5-yl)oxolan-2-yl]methanamine is sourced from PubChem (CID 10419556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).