5-[4-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]-1,3,9-triazaspiro[5.5]undecan-2-one

C18H24FN3O3 — CID 155904384

IUPAC5-[4-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]-1,3,9-triazaspiro[5.5]undecan-2-one
SMILESO=C1NCC(c2ccc(F)cc2O[C@@H]2CCOC2)C2(CCNCC2)N1
InChIInChI=1S/C18H24FN3O3/c19-12-1-2-14(16(9-12)25-13-3-8-24-11-13)15-10-21-17(23)22-18(15)4-6-20-7-5-18/h1-2,9,13,15,20H,3-8,10-11H2,(H2,21,22,23)/t13-,15?/m1/s1
InChIKeyOQFNNNCFHJDFRD-AFYYWNPRSA-N
MW349.41 g/mol
LogP1.51
Rot. Bonds3

About 5-[4-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]-1,3,9-triazaspiro[5.5]undecan-2-one

5-[4-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]-1,3,9-triazaspiro[5.5]undecan-2-one (PubChem CID 155904384) has the molecular formula C18H24FN3O3 and a molecular weight of 349.41 g/mol. Its IUPAC name is 5-[4-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]-1,3,9-triazaspiro[5.5]undecan-2-one.

Molecular Properties

Compound Name5-[4-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]-1,3,9-triazaspiro[5.5]undecan-2-one
PubChem CID155904384
Molecular FormulaC18H24FN3O3
Molecular Weight349.41 g/mol
Exact Mass349.18
IUPAC Name5-[4-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]-1,3,9-triazaspiro[5.5]undecan-2-one
SMILESO=C1NCC(c2ccc(F)cc2O[C@@H]2CCOC2)C2(CCNCC2)N1
InChIInChI=1S/C18H24FN3O3/c19-12-1-2-14(16(9-12)25-13-3-8-24-11-13)15-10-21-17(23)22-18(15)4-6-20-7-5-18/h1-2,9,13,15,20H,3-8,10-11H2,(H2,21,22,23)/t13-,15?/m1/s1
InChIKeyOQFNNNCFHJDFRD-AFYYWNPRSA-N
XLogP1.51
TPSA71.62 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.41
LogP ≤ 51.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Analyze 5-[4-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]-1,3,9-triazaspiro[5.5]undecan-2-one with MolForge

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Related Compounds

5-[4-fluoro-2-[(3S)-oxolan-3-yl]oxyphenyl]-9-[2-methyl-2-[3-(trifluoromethyl)phenyl]propanoyl]-1,3,9-triazaspiro[5.5]undecan-2-one
CID 147999552
(5R)-5-[4-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]-9-[(2R)-3,3,3-trifluoro-2-methoxy-2-phenylpropanoyl]-1,3,9-triazaspiro[5.5]undecan-2-one
CID 150895177
tert-butyl 5-(2-cyclobutyloxy-4-fluorophenyl)-2-oxo-1,3,9-triazaspiro[5.5]undecane-9-carboxylate
CID 151194812
9-benzyl-5-[4-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]-3,9-diazaspiro[5.5]undecan-2-one
CID 149423266
tert-butyl 5-[4-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]-3,9-diazaspiro[5.5]undecane-3-carboxylate
CID 150768976
(3S)-3-(2-bromo-5-fluorophenoxy)oxolane
CID 118590561
1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]-N-methylethanamine
CID 63556776
4-[2-[(3R)-oxolan-3-yl]oxyphenyl]piperidine
CID 156722278
(1R)-1-[4-fluoro-2-(oxolan-3-yloxy)phenyl]ethanol
CID 63557560
[5-fluoro-2-(oxolan-3-yloxy)phenyl]methanamine
CID 63673157
3-(4-fluoro-2-propan-2-ylphenoxy)oxolane
CID 164786398
3-(5-fluoro-2-methylphenoxy)oxane
CID 107137933

Frequently Asked Questions

What is the IUPAC name of 5-[4-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]-1,3,9-triazaspiro[5.5]undecan-2-one?
The IUPAC name of 5-[4-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]-1,3,9-triazaspiro[5.5]undecan-2-one (CID 155904384) is 5-[4-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]-1,3,9-triazaspiro[5.5]undecan-2-one.
What is the SMILES notation for 5-[4-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]-1,3,9-triazaspiro[5.5]undecan-2-one?
The canonical SMILES for 5-[4-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]-1,3,9-triazaspiro[5.5]undecan-2-one is O=C1NCC(c2ccc(F)cc2O[C@@H]2CCOC2)C2(CCNCC2)N1.
What is the InChIKey of 5-[4-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]-1,3,9-triazaspiro[5.5]undecan-2-one?
The InChIKey is OQFNNNCFHJDFRD-AFYYWNPRSA-N. The full InChI is InChI=1S/C18H24FN3O3/c19-12-1-2-14(16(9-12)25-13-3-8-24-11-13)15-10-21-17(23)22-18(15)4-6-20-7-5-18/h1-2,9,13,15,20H,3-8,10-11H2,(H2,21,22,23)/t13-,15?/m1/s1.
What are the key properties of 5-[4-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]-1,3,9-triazaspiro[5.5]undecan-2-one?
5-[4-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]-1,3,9-triazaspiro[5.5]undecan-2-one has a molecular weight of 349.41 g/mol, XLogP of 1.51, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-fluoro-2-[(3R)-oxolan-3-yl]oxyphenyl]-1,3,9-triazaspiro[5.5]undecan-2-one is sourced from PubChem (CID 155904384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).