7-[(4-fluorophenyl)methyl]-2-[(1-propylimidazol-2-yl)methyl]-6-oxa-2-azaspiro[3.4]octane

C20H26FN3O — CID 110138617

IUPAC7-[(4-fluorophenyl)methyl]-2-[(1-propylimidazol-2-yl)methyl]-6-oxa-2-azaspiro[3.4]octane
SMILESCCCn1ccnc1CN1CC2(COC(Cc3ccc(F)cc3)C2)C1
InChIInChI=1S/C20H26FN3O/c1-2-8-24-9-7-22-19(24)12-23-13-20(14-23)11-18(25-15-20)10-16-3-5-17(21)6-4-16/h3-7,9,18H,2,8,10-15H2,1H3
InChIKeyKWFHBGHCRGGNHN-UHFFFAOYSA-N
MW343.45 g/mol
LogP3.27
Rot. Bonds6

About 7-[(4-fluorophenyl)methyl]-2-[(1-propylimidazol-2-yl)methyl]-6-oxa-2-azaspiro[3.4]octane

7-[(4-fluorophenyl)methyl]-2-[(1-propylimidazol-2-yl)methyl]-6-oxa-2-azaspiro[3.4]octane (PubChem CID 110138617) has the molecular formula C20H26FN3O and a molecular weight of 343.45 g/mol. Its IUPAC name is 7-[(4-fluorophenyl)methyl]-2-[(1-propylimidazol-2-yl)methyl]-6-oxa-2-azaspiro[3.4]octane.

Molecular Properties

Compound Name7-[(4-fluorophenyl)methyl]-2-[(1-propylimidazol-2-yl)methyl]-6-oxa-2-azaspiro[3.4]octane
PubChem CID110138617
Molecular FormulaC20H26FN3O
Molecular Weight343.45 g/mol
Exact Mass343.21
IUPAC Name7-[(4-fluorophenyl)methyl]-2-[(1-propylimidazol-2-yl)methyl]-6-oxa-2-azaspiro[3.4]octane
SMILESCCCn1ccnc1CN1CC2(COC(Cc3ccc(F)cc3)C2)C1
InChIInChI=1S/C20H26FN3O/c1-2-8-24-9-7-22-19(24)12-23-13-20(14-23)11-18(25-15-20)10-16-3-5-17(21)6-4-16/h3-7,9,18H,2,8,10-15H2,1H3
InChIKeyKWFHBGHCRGGNHN-UHFFFAOYSA-N
XLogP3.27
TPSA30.29 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 53.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(7R)-2-[(1-ethylimidazol-2-yl)methyl]-7-[(3-fluorophenyl)methyl]-6-oxa-2-azaspiro[3.4]octane
CID 125000857
7-[(3-fluorophenyl)methyl]-2-[(1-propan-2-ylimidazol-2-yl)methyl]-6-oxa-2-azaspiro[3.4]octane
CID 155984117
7-benzyl-2-(1H-imidazol-2-ylmethyl)-6-oxa-2-azaspiro[3.4]octane
CID 110138213
(3R)-3-[(4-fluorophenyl)methyl]-8-(2-methoxyethyl)-2-oxa-8-azaspiro[4.5]decane
CID 124983316
(7S)-2-[(2-fluoro-3-methoxyphenyl)methyl]-7-(pyridin-3-ylmethyl)-6-oxa-2-azaspiro[3.4]octane
CID 124981849
8-[(1-methylimidazol-2-yl)methyl]-3-(pyrimidin-5-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
CID 110138396
(3S)-8-[(1-methylimidazol-2-yl)methyl]-3-(pyrimidin-5-ylmethyl)-2-oxa-8-azaspiro[4.5]decane
CID 124960043
2-(4-fluorophenyl)-N-[(1-propylimidazol-2-yl)methyl]ethanamine
CID 46784408
5-fluoro-2-[4-[(1-propylimidazol-2-yl)methyl]piperazin-1-yl]pyrimidine
CID 50972370
2-[(4-chloro-3-fluorophenyl)methyl]-7-(pyridin-3-ylmethyl)-6-oxa-2-azaspiro[3.4]octane
CID 110138636
2-methyl-4-[(2R)-4-[(1-propylimidazol-2-yl)methyl]morpholin-2-yl]-1H-pyrimidin-6-one
CID 137169722
2-[2-[(4-fluorophenyl)methyl]imidazol-1-yl]-N-methylethanamine
CID 82557914

Frequently Asked Questions

What is the IUPAC name of 7-[(4-fluorophenyl)methyl]-2-[(1-propylimidazol-2-yl)methyl]-6-oxa-2-azaspiro[3.4]octane?
The IUPAC name of 7-[(4-fluorophenyl)methyl]-2-[(1-propylimidazol-2-yl)methyl]-6-oxa-2-azaspiro[3.4]octane (CID 110138617) is 7-[(4-fluorophenyl)methyl]-2-[(1-propylimidazol-2-yl)methyl]-6-oxa-2-azaspiro[3.4]octane.
What is the SMILES notation for 7-[(4-fluorophenyl)methyl]-2-[(1-propylimidazol-2-yl)methyl]-6-oxa-2-azaspiro[3.4]octane?
The canonical SMILES for 7-[(4-fluorophenyl)methyl]-2-[(1-propylimidazol-2-yl)methyl]-6-oxa-2-azaspiro[3.4]octane is CCCn1ccnc1CN1CC2(COC(Cc3ccc(F)cc3)C2)C1.
What is the InChIKey of 7-[(4-fluorophenyl)methyl]-2-[(1-propylimidazol-2-yl)methyl]-6-oxa-2-azaspiro[3.4]octane?
The InChIKey is KWFHBGHCRGGNHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26FN3O/c1-2-8-24-9-7-22-19(24)12-23-13-20(14-23)11-18(25-15-20)10-16-3-5-17(21)6-4-16/h3-7,9,18H,2,8,10-15H2,1H3.
What are the key properties of 7-[(4-fluorophenyl)methyl]-2-[(1-propylimidazol-2-yl)methyl]-6-oxa-2-azaspiro[3.4]octane?
7-[(4-fluorophenyl)methyl]-2-[(1-propylimidazol-2-yl)methyl]-6-oxa-2-azaspiro[3.4]octane has a molecular weight of 343.45 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(4-fluorophenyl)methyl]-2-[(1-propylimidazol-2-yl)methyl]-6-oxa-2-azaspiro[3.4]octane is sourced from PubChem (CID 110138617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).