2-(3,5-dimethylpyrazol-1-yl)-1-[(3R,5R)-3-(4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone

C21H26FN3O3 — CID 110141941

IUPAC2-(3,5-dimethylpyrazol-1-yl)-1-[(3R,5R)-3-(4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
SMILESCc1cc(C)n(CC(=O)N2CCC[C@@]3(C[C@@H](Oc4ccc(F)cc4)CO3)C2)n1
InChIInChI=1S/C21H26FN3O3/c1-15-10-16(2)25(23-15)12-20(26)24-9-3-8-21(14-24)11-19(13-27-21)28-18-6-4-17(22)5-7-18/h4-7,10,19H,3,8-9,11-14H2,1-2H3/t19-,21-/m1/s1
InChIKeyLAUBESGEZFMPCK-TZIWHRDSSA-N
MW387.46 g/mol
LogP2.87
Rot. Bonds4

About 2-(3,5-dimethylpyrazol-1-yl)-1-[(3R,5R)-3-(4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone

2-(3,5-dimethylpyrazol-1-yl)-1-[(3R,5R)-3-(4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone (PubChem CID 110141941) has the molecular formula C21H26FN3O3 and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-(3,5-dimethylpyrazol-1-yl)-1-[(3R,5R)-3-(4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone.

Molecular Properties

Compound Name2-(3,5-dimethylpyrazol-1-yl)-1-[(3R,5R)-3-(4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
PubChem CID110141941
Molecular FormulaC21H26FN3O3
Molecular Weight387.46 g/mol
Exact Mass387.20
IUPAC Name2-(3,5-dimethylpyrazol-1-yl)-1-[(3R,5R)-3-(4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone
SMILESCc1cc(C)n(CC(=O)N2CCC[C@@]3(C[C@@H](Oc4ccc(F)cc4)CO3)C2)n1
InChIInChI=1S/C21H26FN3O3/c1-15-10-16(2)25(23-15)12-20(26)24-9-3-8-21(14-24)11-19(13-27-21)28-18-6-4-17(22)5-7-18/h4-7,10,19H,3,8-9,11-14H2,1-2H3/t19-,21-/m1/s1
InChIKeyLAUBESGEZFMPCK-TZIWHRDSSA-N
XLogP2.87
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(3,5-dimethylpyrazol-1-yl)-1-[(3R,5R)-3-(4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3,5-dimethylpyrazol-1-yl)-1-[3-[(4-fluorophenoxy)methyl]-3-hydroxypiperidin-1-yl]ethanone
CID 155990946
1-[(3R,5S)-3-(3-chloro-4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-(dimethylamino)ethanone
CID 110141973
[(3R,5S)-3-(4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(2-propan-2-ylpyrazol-3-yl)methanone
CID 110142025
[(3R,5S)-3-(4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-[2-[(6-methyl-3-pyridinyl)oxy]-3-pyridinyl]methanone
CID 110150441
[(3R,5S)-3-(4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(4-methoxynaphthalen-1-yl)methanone
CID 155986478
1-[2-[(3R,5R)-3-(3-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-oxoethyl]pyrrolidin-2-one
CID 110152080
(4-fluoro-2-methylphenyl)-[(3S,5S)-3-methoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 97423053
[(3R,5R)-3-(3-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(6-methyl-2-pyridinyl)methanone
CID 110141985
(5-methylimidazo[1,2-a]pyridin-2-yl)-[(3R,5R)-3-phenoxy-1-oxa-9-azaspiro[4.5]decan-9-yl]methanone
CID 110142172
[(3R,5R)-3-(3-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1,3-thiazol-5-yl)methanone
CID 110142206
[(3R,5R)-3-(4-chlorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-(1-methylimidazol-2-yl)methanone
CID 110141979
N-[(2R)-2-fluoro-1-[(3R,5S)-3-(3-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]-1-oxo-3-phenylpropan-2-yl]acetamide
CID 129458138

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-[(3R,5R)-3-(4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone?
The IUPAC name of 2-(3,5-dimethylpyrazol-1-yl)-1-[(3R,5R)-3-(4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone (CID 110141941) is 2-(3,5-dimethylpyrazol-1-yl)-1-[(3R,5R)-3-(4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone.
What is the SMILES notation for 2-(3,5-dimethylpyrazol-1-yl)-1-[(3R,5R)-3-(4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone?
The canonical SMILES for 2-(3,5-dimethylpyrazol-1-yl)-1-[(3R,5R)-3-(4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone is Cc1cc(C)n(CC(=O)N2CCC[C@@]3(C[C@@H](Oc4ccc(F)cc4)CO3)C2)n1.
What is the InChIKey of 2-(3,5-dimethylpyrazol-1-yl)-1-[(3R,5R)-3-(4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone?
The InChIKey is LAUBESGEZFMPCK-TZIWHRDSSA-N. The full InChI is InChI=1S/C21H26FN3O3/c1-15-10-16(2)25(23-15)12-20(26)24-9-3-8-21(14-24)11-19(13-27-21)28-18-6-4-17(22)5-7-18/h4-7,10,19H,3,8-9,11-14H2,1-2H3/t19-,21-/m1/s1.
What are the key properties of 2-(3,5-dimethylpyrazol-1-yl)-1-[(3R,5R)-3-(4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone?
2-(3,5-dimethylpyrazol-1-yl)-1-[(3R,5R)-3-(4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone has a molecular weight of 387.46 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethylpyrazol-1-yl)-1-[(3R,5R)-3-(4-fluorophenoxy)-1-oxa-9-azaspiro[4.5]decan-9-yl]ethanone is sourced from PubChem (CID 110141941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).