8-(3-fluorophenyl)-4-[(3-methylimidazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane

C19H25FN4O — CID 131660812

IUPAC8-(3-fluorophenyl)-4-[(3-methylimidazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESCn1cncc1CN1CCOC2(CCCN(c3cccc(F)c3)C2)C1
InChIInChI=1S/C19H25FN4O/c1-22-15-21-11-18(22)12-23-8-9-25-19(13-23)6-3-7-24(14-19)17-5-2-4-16(20)10-17/h2,4-5,10-11,15H,3,6-9,12-14H2,1H3
InChIKeyOSFDVEUFJJYHNF-UHFFFAOYSA-N
MW344.43 g/mol
LogP2.43
Rot. Bonds3

About 8-(3-fluorophenyl)-4-[(3-methylimidazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane

8-(3-fluorophenyl)-4-[(3-methylimidazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane (PubChem CID 131660812) has the molecular formula C19H25FN4O and a molecular weight of 344.43 g/mol. Its IUPAC name is 8-(3-fluorophenyl)-4-[(3-methylimidazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name8-(3-fluorophenyl)-4-[(3-methylimidazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
PubChem CID131660812
Molecular FormulaC19H25FN4O
Molecular Weight344.43 g/mol
Exact Mass344.20
IUPAC Name8-(3-fluorophenyl)-4-[(3-methylimidazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane
SMILESCn1cncc1CN1CCOC2(CCCN(c3cccc(F)c3)C2)C1
InChIInChI=1S/C19H25FN4O/c1-22-15-21-11-18(22)12-23-8-9-25-19(13-23)6-3-7-24(14-19)17-5-2-4-16(20)10-17/h2,4-5,10-11,15H,3,6-9,12-14H2,1H3
InChIKeyOSFDVEUFJJYHNF-UHFFFAOYSA-N
XLogP2.43
TPSA33.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.43
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 8-(3-fluorophenyl)-4-[(3-methylimidazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane with MolForge

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Related Compounds

4-[5-(4-Fluoro-phenyl)-3-(3-morpholin-4-yl-propyl)-3H-imidazol-4-yl]-pyrimidin-2-ylamine
CID 9800117
SB-210313
CID 9885504
2-[4-(Morpholino)anilino]-4-(1-isopropyl-2-methyl-1H-imidazol-5-yl)-5-fluoropyrimidine
CID 11315446
4-[2-[4-(4-Fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]ethyl]morpholine
CID 9819884
1-(3-Morpholinopropyl)-4-[3-(trifluoromethyl)phenyl]-5-(4-pyridyl)-1H-imidazole
CID 10525956
4-[4-[4-(4-Fluorophenyl)-5-pyridin-4-ylimidazol-1-yl]butyl]morpholine
CID 10619769
4-{3-[4-(4-Fluoro-phenyl)-5-(2-methoxy-pyrimidin-4-yl)-imidazol-1-yl]-propyl}-morpholine
CID 44269265
2-(4-Fluorophenyl)-7-methyl-5-morpholinoimidazo[1,2-a]pyrimidine
CID 1481912
4-{3-[4-(4-Fluoro-phenyl)-5-pyrimidin-4-yl-imidazol-1-yl]-propyl}-morpholine
CID 44269247
4-[(7-Methyl-2-phenylimidazo[1,2-a]pyrimidin-3-yl)methyl]morpholine
CID 122183043
4-[5-(4-fluorophenyl)-3-(3-morpholin-4-ylpropyl)imidazol-4-yl]-N-methylpyrimidin-2-amine
CID 9865518
4-[5-(4-Fluorophenyl)-3-(3-morpholin-4-ylpropyl)imidazol-4-yl]pyridin-2-amine
CID 10523894

Frequently Asked Questions

What is the IUPAC name of 8-(3-fluorophenyl)-4-[(3-methylimidazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane?
The IUPAC name of 8-(3-fluorophenyl)-4-[(3-methylimidazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane (CID 131660812) is 8-(3-fluorophenyl)-4-[(3-methylimidazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane.
What is the SMILES notation for 8-(3-fluorophenyl)-4-[(3-methylimidazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane?
The canonical SMILES for 8-(3-fluorophenyl)-4-[(3-methylimidazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane is Cn1cncc1CN1CCOC2(CCCN(c3cccc(F)c3)C2)C1.
What is the InChIKey of 8-(3-fluorophenyl)-4-[(3-methylimidazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane?
The InChIKey is OSFDVEUFJJYHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25FN4O/c1-22-15-21-11-18(22)12-23-8-9-25-19(13-23)6-3-7-24(14-19)17-5-2-4-16(20)10-17/h2,4-5,10-11,15H,3,6-9,12-14H2,1H3.
What are the key properties of 8-(3-fluorophenyl)-4-[(3-methylimidazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane?
8-(3-fluorophenyl)-4-[(3-methylimidazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane has a molecular weight of 344.43 g/mol, XLogP of 2.43, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(3-fluorophenyl)-4-[(3-methylimidazol-4-yl)methyl]-1-oxa-4,8-diazaspiro[5.5]undecane is sourced from PubChem (CID 131660812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).