(7R)-2-[(1-ethylimidazol-2-yl)methyl]-7-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[3.4]octane

C19H24FN3O — CID 125000857

IUPAC(7R)-2-[(1-ethylimidazol-2-yl)methyl]-7-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[3.4]octane
SMILESCCn1ccnc1CN1CC2(CO[C@H](Cc3cccc(F)c3)C2)C1
InChIInChI=1S/C19H24FN3O/c1-2-23-7-6-21-18(23)11-22-12-19(13-22)10-17(24-14-19)9-15-4-3-5-16(20)8-15/h3-8,17H,2,9-14H2,1H3/t17-/m1/s1
InChIKeyRYVMBZVVOPBKAF-QGZVFWFLSA-N
MW329.42 g/mol
LogP2.88
Rot. Bonds5

About (7R)-2-[(1-ethylimidazol-2-yl)methyl]-7-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[3.4]octane

(7R)-2-[(1-ethylimidazol-2-yl)methyl]-7-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[3.4]octane (PubChem CID 125000857) has the molecular formula C19H24FN3O and a molecular weight of 329.42 g/mol. Its IUPAC name is (7R)-2-[(1-ethylimidazol-2-yl)methyl]-7-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name(7R)-2-[(1-ethylimidazol-2-yl)methyl]-7-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[3.4]octane
PubChem CID125000857
Molecular FormulaC19H24FN3O
Molecular Weight329.42 g/mol
Exact Mass329.19
IUPAC Name(7R)-2-[(1-ethylimidazol-2-yl)methyl]-7-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[3.4]octane
SMILESCCn1ccnc1CN1CC2(CO[C@H](Cc3cccc(F)c3)C2)C1
InChIInChI=1S/C19H24FN3O/c1-2-23-7-6-21-18(23)11-22-12-19(13-22)10-17(24-14-19)9-15-4-3-5-16(20)8-15/h3-8,17H,2,9-14H2,1H3/t17-/m1/s1
InChIKeyRYVMBZVVOPBKAF-QGZVFWFLSA-N
XLogP2.88
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.42
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (7R)-2-[(1-ethylimidazol-2-yl)methyl]-7-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[3.4]octane with MolForge

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Related Compounds

7-[(3-fluorophenyl)methyl]-2-[(1-propan-2-ylimidazol-2-yl)methyl]-6-oxa-2-azaspiro[3.4]octane
CID 155984117
7-[(4-fluorophenyl)methyl]-2-[(1-propylimidazol-2-yl)methyl]-6-oxa-2-azaspiro[3.4]octane
CID 110138617
2-[(3-fluorophenyl)methyl]-7-(pyrimidin-5-ylmethyl)-6-oxa-2-azaspiro[3.4]octane
CID 110138596
3-[(3-fluorophenyl)methyl]-8-methyl-2-oxa-8-azaspiro[4.5]decane
CID 110138342
(3S)-3-[(3-fluorophenyl)methyl]-8-[(1-methylpyrazol-4-yl)methyl]-2-oxa-8-azaspiro[4.5]decane
CID 125004078
(4-fluorophenyl)-[(7R)-7-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[3.4]octan-2-yl]methanone
CID 124989124
7-benzyl-2-(1H-imidazol-2-ylmethyl)-6-oxa-2-azaspiro[3.4]octane
CID 110138213
(7S)-2-[(2-fluoro-3-methoxyphenyl)methyl]-7-(pyridin-3-ylmethyl)-6-oxa-2-azaspiro[3.4]octane
CID 124981849
2-[(4-chloro-3-fluorophenyl)methyl]-7-(pyridin-3-ylmethyl)-6-oxa-2-azaspiro[3.4]octane
CID 110138636
(7S)-2-[(4-chloro-3-fluorophenyl)methyl]-7-(pyridin-3-ylmethyl)-6-oxa-2-azaspiro[3.4]octane
CID 125009172
[1-[(3-fluorophenyl)methyl]imidazol-2-yl]methanamine
CID 62223886
8-[(1-methylimidazol-2-yl)methyl]-3-(pyrimidin-5-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
CID 110138396

Frequently Asked Questions

What is the IUPAC name of (7R)-2-[(1-ethylimidazol-2-yl)methyl]-7-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[3.4]octane?
The IUPAC name of (7R)-2-[(1-ethylimidazol-2-yl)methyl]-7-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[3.4]octane (CID 125000857) is (7R)-2-[(1-ethylimidazol-2-yl)methyl]-7-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[3.4]octane.
What is the SMILES notation for (7R)-2-[(1-ethylimidazol-2-yl)methyl]-7-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[3.4]octane?
The canonical SMILES for (7R)-2-[(1-ethylimidazol-2-yl)methyl]-7-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[3.4]octane is CCn1ccnc1CN1CC2(CO[C@H](Cc3cccc(F)c3)C2)C1.
What is the InChIKey of (7R)-2-[(1-ethylimidazol-2-yl)methyl]-7-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[3.4]octane?
The InChIKey is RYVMBZVVOPBKAF-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H24FN3O/c1-2-23-7-6-21-18(23)11-22-12-19(13-22)10-17(24-14-19)9-15-4-3-5-16(20)8-15/h3-8,17H,2,9-14H2,1H3/t17-/m1/s1.
What are the key properties of (7R)-2-[(1-ethylimidazol-2-yl)methyl]-7-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[3.4]octane?
(7R)-2-[(1-ethylimidazol-2-yl)methyl]-7-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[3.4]octane has a molecular weight of 329.42 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-[(1-ethylimidazol-2-yl)methyl]-7-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 125000857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).