1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone

C14H18F3N3O3 — CID 110156976

IUPAC1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILESO=C(Cn1ccc(C(F)(F)F)n1)N1CC[C@H](O)[C@]2(CCCO2)C1
InChIInChI=1S/C14H18F3N3O3/c15-14(16,17)10-2-6-20(18-10)8-12(22)19-5-3-11(21)13(9-19)4-1-7-23-13/h2,6,11,21H,1,3-5,7-9H2/t11-,13-/m0/s1
InChIKeyVAMPZTZCKQFJCA-AAEUAGOBSA-N
MW333.31 g/mol
LogP1.04
Rot. Bonds2

About 1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone

1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone (PubChem CID 110156976) has the molecular formula C14H18F3N3O3 and a molecular weight of 333.31 g/mol. Its IUPAC name is 1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
PubChem CID110156976
Molecular FormulaC14H18F3N3O3
Molecular Weight333.31 g/mol
Exact Mass333.13
IUPAC Name1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone
SMILESO=C(Cn1ccc(C(F)(F)F)n1)N1CC[C@H](O)[C@]2(CCCO2)C1
InChIInChI=1S/C14H18F3N3O3/c15-14(16,17)10-2-6-20(18-10)8-12(22)19-5-3-11(21)13(9-19)4-1-7-23-13/h2,6,11,21H,1,3-5,7-9H2/t11-,13-/m0/s1
InChIKeyVAMPZTZCKQFJCA-AAEUAGOBSA-N
XLogP1.04
TPSA67.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.31
LogP ≤ 51.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-[3-(trifluoromethyl)pyrazol-1-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

Frequently Asked Questions

What is the IUPAC name of 1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The IUPAC name of 1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone (CID 110156976) is 1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone.
What is the SMILES notation for 1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The canonical SMILES for 1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone is O=C(Cn1ccc(C(F)(F)F)n1)N1CC[C@H](O)[C@]2(CCCO2)C1.
What is the InChIKey of 1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
The InChIKey is VAMPZTZCKQFJCA-AAEUAGOBSA-N. The full InChI is InChI=1S/C14H18F3N3O3/c15-14(16,17)10-2-6-20(18-10)8-12(22)19-5-3-11(21)13(9-19)4-1-7-23-13/h2,6,11,21H,1,3-5,7-9H2/t11-,13-/m0/s1.
What are the key properties of 1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone?
1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone has a molecular weight of 333.31 g/mol, XLogP of 1.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5S,6S)-6-hydroxy-1-oxa-9-azaspiro[4.5]decan-9-yl]-2-[3-(trifluoromethyl)pyrazol-1-yl]ethanone is sourced from PubChem (CID 110156976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).