(3-methylphenyl)-[3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone

C20H25N3O2 — CID 118740906

IUPAC(3-methylphenyl)-[3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESCc1cccc(C(=O)N2CCC3(CC2)CC(c2cnn(C)c2)CO3)c1
InChIInChI=1S/C20H25N3O2/c1-15-4-3-5-16(10-15)19(24)23-8-6-20(7-9-23)11-17(14-25-20)18-12-21-22(2)13-18/h3-5,10,12-13,17H,6-9,11,14H2,1-2H3
InChIKeyVEQYXTOREJVYHV-UHFFFAOYSA-N
MW339.44 g/mol
LogP2.91
Rot. Bonds2

About (3-methylphenyl)-[3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone

(3-methylphenyl)-[3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone (PubChem CID 118740906) has the molecular formula C20H25N3O2 and a molecular weight of 339.44 g/mol. Its IUPAC name is (3-methylphenyl)-[3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone.

Molecular Properties

Compound Name(3-methylphenyl)-[3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
PubChem CID118740906
Molecular FormulaC20H25N3O2
Molecular Weight339.44 g/mol
Exact Mass339.19
IUPAC Name(3-methylphenyl)-[3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone
SMILESCc1cccc(C(=O)N2CCC3(CC2)CC(c2cnn(C)c2)CO3)c1
InChIInChI=1S/C20H25N3O2/c1-15-4-3-5-16(10-15)19(24)23-8-6-20(7-9-23)11-17(14-25-20)18-12-21-22(2)13-18/h3-5,10,12-13,17H,6-9,11,14H2,1-2H3
InChIKeyVEQYXTOREJVYHV-UHFFFAOYSA-N
XLogP2.91
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.44
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (3-methylphenyl)-[3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone 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 (3-methylphenyl)-[3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The IUPAC name of (3-methylphenyl)-[3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone (CID 118740906) is (3-methylphenyl)-[3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone.
What is the SMILES notation for (3-methylphenyl)-[3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The canonical SMILES for (3-methylphenyl)-[3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone is Cc1cccc(C(=O)N2CCC3(CC2)CC(c2cnn(C)c2)CO3)c1.
What is the InChIKey of (3-methylphenyl)-[3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
The InChIKey is VEQYXTOREJVYHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N3O2/c1-15-4-3-5-16(10-15)19(24)23-8-6-20(7-9-23)11-17(14-25-20)18-12-21-22(2)13-18/h3-5,10,12-13,17H,6-9,11,14H2,1-2H3.
What are the key properties of (3-methylphenyl)-[3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone?
(3-methylphenyl)-[3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone has a molecular weight of 339.44 g/mol, XLogP of 2.91, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methylphenyl)-[3-(1-methylpyrazol-4-yl)-1-oxa-8-azaspiro[4.5]decan-8-yl]methanone is sourced from PubChem (CID 118740906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).