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

C22H28FN3O2 — CID 56702363

IUPAC[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCC3(CCCN(Cc4ccc(F)cc4)C3)C2)no1
InChIInChI=1S/C22H28FN3O2/c1-16(2)20-12-19(24-28-20)21(27)26-11-9-22(15-26)8-3-10-25(14-22)13-17-4-6-18(23)7-5-17/h4-7,12,16H,3,8-11,13-15H2,1-2H3
InChIKeyUGTWBUIHCZDEOK-UHFFFAOYSA-N
MW385.48 g/mol
LogP4.07
Rot. Bonds4

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

[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone (PubChem CID 56702363) has the molecular formula C22H28FN3O2 and a molecular weight of 385.48 g/mol. Its IUPAC name is [9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
PubChem CID56702363
Molecular FormulaC22H28FN3O2
Molecular Weight385.48 g/mol
Exact Mass385.22
IUPAC Name[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone
SMILESCC(C)c1cc(C(=O)N2CCC3(CCCN(Cc4ccc(F)cc4)C3)C2)no1
InChIInChI=1S/C22H28FN3O2/c1-16(2)20-12-19(24-28-20)21(27)26-11-9-22(15-26)8-3-10-25(14-22)13-17-4-6-18(23)7-5-17/h4-7,12,16H,3,8-11,13-15H2,1-2H3
InChIKeyUGTWBUIHCZDEOK-UHFFFAOYSA-N
XLogP4.07
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.48
LogP ≤ 54.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

[(5S)-9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-[5-(2-methylpropyl)-1H-pyrazol-3-yl]methanone
CID 42290063
[(5S)-9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-propyl-1H-pyrazol-3-yl)methanone
CID 42095149
[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(furan-3-yl)methanone
CID 45171495
(2-ethyl-5-methylpyrazol-3-yl)-[(5S)-9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 25372862
5-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]-4,6-dimethylpyran-2-one
CID 45224502
(2-ethyl-5-methylpyrazol-3-yl)-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 45212420
1-[4-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decane-2-carbonyl]thiophen-2-yl]ethanone
CID 56702894
[(5R)-9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(3-methylthiophen-2-yl)methanone
CID 42415530
2-(azepan-1-yl)-1-[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]ethanone
CID 45182786
(1-oxido-2,1,3-benzoxadiazol-1-ium-5-yl)-[9-[(4-propan-2-ylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]methanone
CID 45249596
1-[9-[(4-propan-2-ylphenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]but-3-en-1-one
CID 45215492
[2-[(4-fluorophenyl)methyl]-2,7-diazaspiro[4.5]decan-7-yl]-pyridin-3-ylmethanone
CID 131661981

Frequently Asked Questions

What is the IUPAC name of [9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone?
The IUPAC name of [9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone (CID 56702363) is [9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for [9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for [9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone is CC(C)c1cc(C(=O)N2CCC3(CCCN(Cc4ccc(F)cc4)C3)C2)no1.
What is the InChIKey of [9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone?
The InChIKey is UGTWBUIHCZDEOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28FN3O2/c1-16(2)20-12-19(24-28-20)21(27)26-11-9-22(15-26)8-3-10-25(14-22)13-17-4-6-18(23)7-5-17/h4-7,12,16H,3,8-11,13-15H2,1-2H3.
What are the key properties of [9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone?
[9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone has a molecular weight of 385.48 g/mol, XLogP of 4.07, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [9-[(4-fluorophenyl)methyl]-2,9-diazaspiro[4.5]decan-2-yl]-(5-propan-2-yl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 56702363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).