(5S,6S)-6-methoxy-9-[(3-methylimidazol-4-yl)methyl]-1-oxa-9-azaspiro[4.5]decane

C14H23N3O2 — CID 110155777

IUPAC(5S,6S)-6-methoxy-9-[(3-methylimidazol-4-yl)methyl]-1-oxa-9-azaspiro[4.5]decane
SMILESCO[C@H]1CCN(Cc2cncn2C)C[C@@]12CCCO2
InChIInChI=1S/C14H23N3O2/c1-16-11-15-8-12(16)9-17-6-4-13(18-2)14(10-17)5-3-7-19-14/h8,11,13H,3-7,9-10H2,1-2H3/t13-,14-/m0/s1
InChIKeyUBESYBXYKDJMRC-KBPBESRZSA-N
MW265.36 g/mol
LogP1.19
Rot. Bonds3

About (5S,6S)-6-methoxy-9-[(3-methylimidazol-4-yl)methyl]-1-oxa-9-azaspiro[4.5]decane

(5S,6S)-6-methoxy-9-[(3-methylimidazol-4-yl)methyl]-1-oxa-9-azaspiro[4.5]decane (PubChem CID 110155777) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is (5S,6S)-6-methoxy-9-[(3-methylimidazol-4-yl)methyl]-1-oxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name(5S,6S)-6-methoxy-9-[(3-methylimidazol-4-yl)methyl]-1-oxa-9-azaspiro[4.5]decane
PubChem CID110155777
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name(5S,6S)-6-methoxy-9-[(3-methylimidazol-4-yl)methyl]-1-oxa-9-azaspiro[4.5]decane
SMILESCO[C@H]1CCN(Cc2cncn2C)C[C@@]12CCCO2
InChIInChI=1S/C14H23N3O2/c1-16-11-15-8-12(16)9-17-6-4-13(18-2)14(10-17)5-3-7-19-14/h8,11,13H,3-7,9-10H2,1-2H3/t13-,14-/m0/s1
InChIKeyUBESYBXYKDJMRC-KBPBESRZSA-N
XLogP1.19
TPSA39.52 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5S,6S)-6-methoxy-9-[(3-methylimidazol-4-yl)methyl]-1-oxa-9-azaspiro[4.5]decane?
The IUPAC name of (5S,6S)-6-methoxy-9-[(3-methylimidazol-4-yl)methyl]-1-oxa-9-azaspiro[4.5]decane (CID 110155777) is (5S,6S)-6-methoxy-9-[(3-methylimidazol-4-yl)methyl]-1-oxa-9-azaspiro[4.5]decane.
What is the SMILES notation for (5S,6S)-6-methoxy-9-[(3-methylimidazol-4-yl)methyl]-1-oxa-9-azaspiro[4.5]decane?
The canonical SMILES for (5S,6S)-6-methoxy-9-[(3-methylimidazol-4-yl)methyl]-1-oxa-9-azaspiro[4.5]decane is CO[C@H]1CCN(Cc2cncn2C)C[C@@]12CCCO2.
What is the InChIKey of (5S,6S)-6-methoxy-9-[(3-methylimidazol-4-yl)methyl]-1-oxa-9-azaspiro[4.5]decane?
The InChIKey is UBESYBXYKDJMRC-KBPBESRZSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-16-11-15-8-12(16)9-17-6-4-13(18-2)14(10-17)5-3-7-19-14/h8,11,13H,3-7,9-10H2,1-2H3/t13-,14-/m0/s1.
What are the key properties of (5S,6S)-6-methoxy-9-[(3-methylimidazol-4-yl)methyl]-1-oxa-9-azaspiro[4.5]decane?
(5S,6S)-6-methoxy-9-[(3-methylimidazol-4-yl)methyl]-1-oxa-9-azaspiro[4.5]decane has a molecular weight of 265.36 g/mol, XLogP of 1.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,6S)-6-methoxy-9-[(3-methylimidazol-4-yl)methyl]-1-oxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 110155777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).