2-[(5-benzyl-5-azaspiro[3.5]nonan-8-yl)amino]-1,3-oxazole-4-carboxylic acid

C19H23N3O3 — CID 166288939

IUPAC2-[(5-benzyl-5-azaspiro[3.5]nonan-8-yl)amino]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(NC2CCN(Cc3ccccc3)C3(CCC3)C2)n1
InChIInChI=1S/C19H23N3O3/c23-17(24)16-13-25-18(21-16)20-15-7-10-22(19(11-15)8-4-9-19)12-14-5-2-1-3-6-14/h1-3,5-6,13,15H,4,7-12H2,(H,20,21)(H,23,24)
InChIKeyZGHDDBINWPHPGS-UHFFFAOYSA-N
MW341.41 g/mol
LogP3.37
Rot. Bonds5

About 2-[(5-benzyl-5-azaspiro[3.5]nonan-8-yl)amino]-1,3-oxazole-4-carboxylic acid

2-[(5-benzyl-5-azaspiro[3.5]nonan-8-yl)amino]-1,3-oxazole-4-carboxylic acid (PubChem CID 166288939) has the molecular formula C19H23N3O3 and a molecular weight of 341.41 g/mol. Its IUPAC name is 2-[(5-benzyl-5-azaspiro[3.5]nonan-8-yl)amino]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[(5-benzyl-5-azaspiro[3.5]nonan-8-yl)amino]-1,3-oxazole-4-carboxylic acid
PubChem CID166288939
Molecular FormulaC19H23N3O3
Molecular Weight341.41 g/mol
Exact Mass341.17
IUPAC Name2-[(5-benzyl-5-azaspiro[3.5]nonan-8-yl)amino]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(NC2CCN(Cc3ccccc3)C3(CCC3)C2)n1
InChIInChI=1S/C19H23N3O3/c23-17(24)16-13-25-18(21-16)20-15-7-10-22(19(11-15)8-4-9-19)12-14-5-2-1-3-6-14/h1-3,5-6,13,15H,4,7-12H2,(H,20,21)(H,23,24)
InChIKeyZGHDDBINWPHPGS-UHFFFAOYSA-N
XLogP3.37
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(5-benzyl-5-azaspiro[3.5]nonan-8-yl)amino]-1,3-oxazole-4-carboxylic acid with MolForge

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Related Compounds

2-[[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]amino]-1,3-oxazole-4-carboxylic acid
CID 146134573
2-[(3,3-dimethylcyclobutyl)amino]-1,3-oxazole-4-carboxylic acid
CID 131187454
2-[(9-methyl-9-azabicyclo[3.3.1]nonan-3-yl)amino]-1,3-oxazole-4-carboxylic acid
CID 113377319
N-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-[1,2,4]triazolo[4,3-a]pyridine-5-carboxamide
CID 167751309
N-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-1-oxo-2H-phthalazine-5-carboxamide
CID 166334917
2-[(8S)-5-benzyl-5-azaspiro[3.5]nonan-8-yl]-8-fluoro-N-hydroxy-3,4-dihydro-1H-isoquinoline-6-carboxamide
CID 164868481
N-(4-benzyl-4-azaspiro[2.5]octan-7-yl)-2,2-dimethyl-3-[[3-(trifluoromethyl)-2-pyridinyl]oxy]propanamide
CID 146402185
2-(1-amino-2-phenylethyl)-N-(1-benzylpiperidin-4-yl)-1,3-oxazole-4-carboxamide
CID 3788135
(2R,3S)-N-(1-benzyl-8-oxa-1-azaspiro[4.5]decan-3-yl)-3-methyloxirane-2-carboxamide
CID 166418385
1-benzyl-N,2,2-trimethylpiperidin-4-amine
CID 117020178
[(5S)-1-benzyl-1,7-diazaspiro[4.4]nonan-7-yl]-pyridin-4-ylmethanone
CID 95043573
2-(1-benzyl-2,2-diphenylpyrrolidin-3-yl)acetamide
CID 57119129

Frequently Asked Questions

What is the IUPAC name of 2-[(5-benzyl-5-azaspiro[3.5]nonan-8-yl)amino]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[(5-benzyl-5-azaspiro[3.5]nonan-8-yl)amino]-1,3-oxazole-4-carboxylic acid (CID 166288939) is 2-[(5-benzyl-5-azaspiro[3.5]nonan-8-yl)amino]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[(5-benzyl-5-azaspiro[3.5]nonan-8-yl)amino]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[(5-benzyl-5-azaspiro[3.5]nonan-8-yl)amino]-1,3-oxazole-4-carboxylic acid is O=C(O)c1coc(NC2CCN(Cc3ccccc3)C3(CCC3)C2)n1.
What is the InChIKey of 2-[(5-benzyl-5-azaspiro[3.5]nonan-8-yl)amino]-1,3-oxazole-4-carboxylic acid?
The InChIKey is ZGHDDBINWPHPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3/c23-17(24)16-13-25-18(21-16)20-15-7-10-22(19(11-15)8-4-9-19)12-14-5-2-1-3-6-14/h1-3,5-6,13,15H,4,7-12H2,(H,20,21)(H,23,24).
What are the key properties of 2-[(5-benzyl-5-azaspiro[3.5]nonan-8-yl)amino]-1,3-oxazole-4-carboxylic acid?
2-[(5-benzyl-5-azaspiro[3.5]nonan-8-yl)amino]-1,3-oxazole-4-carboxylic acid has a molecular weight of 341.41 g/mol, XLogP of 3.37, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-benzyl-5-azaspiro[3.5]nonan-8-yl)amino]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 166288939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).