(5S,9S)-7-[(1-propan-2-ylimidazol-2-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-9-ol

C14H23N3O2 — CID 110156275

IUPAC(5S,9S)-7-[(1-propan-2-ylimidazol-2-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-9-ol
SMILESCC(C)n1ccnc1CN1C[C@H](O)[C@]2(CCCO2)C1
InChIInChI=1S/C14H23N3O2/c1-11(2)17-6-5-15-13(17)9-16-8-12(18)14(10-16)4-3-7-19-14/h5-6,11-12,18H,3-4,7-10H2,1-2H3/t12-,14-/m0/s1
InChIKeyDUQMKSGWVJFAEQ-JSGCOSHPSA-N
MW265.36 g/mol
LogP1.19
Rot. Bonds3

About (5S,9S)-7-[(1-propan-2-ylimidazol-2-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-9-ol

(5S,9S)-7-[(1-propan-2-ylimidazol-2-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-9-ol (PubChem CID 110156275) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is (5S,9S)-7-[(1-propan-2-ylimidazol-2-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-9-ol.

Molecular Properties

Compound Name(5S,9S)-7-[(1-propan-2-ylimidazol-2-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-9-ol
PubChem CID110156275
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name(5S,9S)-7-[(1-propan-2-ylimidazol-2-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-9-ol
SMILESCC(C)n1ccnc1CN1C[C@H](O)[C@]2(CCCO2)C1
InChIInChI=1S/C14H23N3O2/c1-11(2)17-6-5-15-13(17)9-16-8-12(18)14(10-16)4-3-7-19-14/h5-6,11-12,18H,3-4,7-10H2,1-2H3/t12-,14-/m0/s1
InChIKeyDUQMKSGWVJFAEQ-JSGCOSHPSA-N
XLogP1.19
TPSA50.52 Ų
H-Bond Donors1
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 ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(5S)-5-methoxy-9-[(1-propan-2-ylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane
CID 124998126
(5S,9S)-7-[(1-ethylpyrazol-4-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-9-ol
CID 110156033
9-[(1-propan-2-ylimidazol-2-yl)methyl]-1-oxa-9-azaspiro[4.6]undecan-8-one
CID 56870328
[(2S)-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]methanamine
CID 95211553
(5S,9S)-7-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-9-ol
CID 110155615
1-[(1-propan-2-ylimidazol-2-yl)methyl]-3-(2H-triazol-4-yl)piperidin-3-ol
CID 128980343
2-[[6,6-dimethyl-4-[(1-propan-2-ylimidazol-2-yl)methyl]morpholin-2-yl]methoxy]-N,N-dimethylacetamide
CID 128976013
(5S)-9-[[1-(2-methoxyethyl)imidazol-2-yl]methyl]-1-oxa-9-azaspiro[5.5]undecan-5-ol
CID 99932500
1-(oxan-4-yl)-4-[(1-propan-2-ylimidazol-2-yl)methyl]-1,4-diazepane-6-carboxamide
CID 127245462
(5S,6S)-9-[(1,3,5-trimethylpyrazol-4-yl)methyl]-1-oxa-9-azaspiro[4.5]decan-6-ol
CID 110156271
N-[[(4R)-4-hydroxy-1-[(1-propan-2-ylimidazol-2-yl)methyl]azepan-4-yl]methyl]piperidine-1-carboxamide
CID 95893693
(5S,6S)-8-[(5-methyl-1,2-oxazol-3-yl)methyl]-1-oxa-8-azaspiro[4.5]decan-6-ol
CID 110155818

Frequently Asked Questions

What is the IUPAC name of (5S,9S)-7-[(1-propan-2-ylimidazol-2-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-9-ol?
The IUPAC name of (5S,9S)-7-[(1-propan-2-ylimidazol-2-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-9-ol (CID 110156275) is (5S,9S)-7-[(1-propan-2-ylimidazol-2-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-9-ol.
What is the SMILES notation for (5S,9S)-7-[(1-propan-2-ylimidazol-2-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-9-ol?
The canonical SMILES for (5S,9S)-7-[(1-propan-2-ylimidazol-2-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-9-ol is CC(C)n1ccnc1CN1C[C@H](O)[C@]2(CCCO2)C1.
What is the InChIKey of (5S,9S)-7-[(1-propan-2-ylimidazol-2-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-9-ol?
The InChIKey is DUQMKSGWVJFAEQ-JSGCOSHPSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-11(2)17-6-5-15-13(17)9-16-8-12(18)14(10-16)4-3-7-19-14/h5-6,11-12,18H,3-4,7-10H2,1-2H3/t12-,14-/m0/s1.
What are the key properties of (5S,9S)-7-[(1-propan-2-ylimidazol-2-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-9-ol?
(5S,9S)-7-[(1-propan-2-ylimidazol-2-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-9-ol has a molecular weight of 265.36 g/mol, XLogP of 1.19, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S,9S)-7-[(1-propan-2-ylimidazol-2-yl)methyl]-1-oxa-7-azaspiro[4.4]nonan-9-ol is sourced from PubChem (CID 110156275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).