[(5R)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone

C20H24FN3O2 — CID 25450891

IUPAC[(5R)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCc1ncoc1C(=O)N1CC[C@@]2(CCCN(Cc3ccccc3F)C2)C1
InChIInChI=1S/C20H24FN3O2/c1-15-18(26-14-22-15)19(25)24-10-8-20(13-24)7-4-9-23(12-20)11-16-5-2-3-6-17(16)21/h2-3,5-6,14H,4,7-13H2,1H3/t20-/m1/s1
InChIKeyAXLXETSYOJGTPS-HXUWFJFHSA-N
MW357.43 g/mol
LogP3.25
Rot. Bonds3

About [(5R)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone

[(5R)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone (PubChem CID 25450891) has the molecular formula C20H24FN3O2 and a molecular weight of 357.43 g/mol. Its IUPAC name is [(5R)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone.

Molecular Properties

Compound Name[(5R)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
PubChem CID25450891
Molecular FormulaC20H24FN3O2
Molecular Weight357.43 g/mol
Exact Mass357.19
IUPAC Name[(5R)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
SMILESCc1ncoc1C(=O)N1CC[C@@]2(CCCN(Cc3ccccc3F)C2)C1
InChIInChI=1S/C20H24FN3O2/c1-15-18(26-14-22-15)19(25)24-10-8-20(13-24)7-4-9-23(12-20)11-16-5-2-3-6-17(16)21/h2-3,5-6,14H,4,7-13H2,1H3/t20-/m1/s1
InChIKeyAXLXETSYOJGTPS-HXUWFJFHSA-N
XLogP3.25
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(5R)-9-[(2,3-dimethoxyphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone
CID 25453702
[(5R)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-[2-(methylamino)-4-pyridinyl]methanone
CID 25373647
3-[(5S)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethyl-1H-pyridin-2-one
CID 26395243
3-[9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]chromen-2-one
CID 45244226
[(5R)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-methoxyfuran-2-yl)methanone
CID 42461629
(5R)-7-[(2-fluorophenyl)methyl]-2-(5-methyl-1,3-oxazole-4-carbonyl)-2,7-diazaspiro[4.5]decan-6-one
CID 25294122
2-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane
CID 56710646
1-[(5S)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-3,3,3-trifluoropropan-1-one
CID 25386653
5-[(5S)-9-[(2,3-difluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-1H-pyridin-2-one
CID 25446669
methyl 4-[[9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methyl]benzoate
CID 45221496
1-[7-[(2-fluorophenyl)methyl]-2,7-diazaspiro[3.5]nonan-2-yl]-2-methylpropan-1-one
CID 97411931
[5-[(2-fluorophenyl)methyl]spiro[2-oxa-5-azabicyclo[10.4.0]hexadeca-1(16),12,14-triene-7,4'-piperidine]-1'-yl]-(4-methyl-1,3-thiazol-5-yl)methanone
CID 110068984

Frequently Asked Questions

What is the IUPAC name of [(5R)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The IUPAC name of [(5R)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone (CID 25450891) is [(5R)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone.
What is the SMILES notation for [(5R)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The canonical SMILES for [(5R)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone is Cc1ncoc1C(=O)N1CC[C@@]2(CCCN(Cc3ccccc3F)C2)C1.
What is the InChIKey of [(5R)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
The InChIKey is AXLXETSYOJGTPS-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H24FN3O2/c1-15-18(26-14-22-15)19(25)24-10-8-20(13-24)7-4-9-23(12-20)11-16-5-2-3-6-17(16)21/h2-3,5-6,14H,4,7-13H2,1H3/t20-/m1/s1.
What are the key properties of [(5R)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone?
[(5R)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone has a molecular weight of 357.43 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-9-[(2-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(4-methyl-1,3-oxazol-5-yl)methanone is sourced from PubChem (CID 25450891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).