N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide

C21H24N4O5 — CID 37340430

IUPACN-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)no1
InChIInChI=1S/C21H24N4O5/c1-29-16-8-3-2-7-14(16)17-13-15(24-30-17)18(26)22-11-6-12-25-19(27)21(23-20(25)28)9-4-5-10-21/h2-3,7-8,13H,4-6,9-12H2,1H3,(H,22,26)(H,23,28)
InChIKeyJHDDDNZAHLTBSE-UHFFFAOYSA-N
MW412.45 g/mol
LogP2.33
Rot. Bonds7

About N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide

N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 37340430) has the molecular formula C21H24N4O5 and a molecular weight of 412.45 g/mol. Its IUPAC name is N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
PubChem CID37340430
Molecular FormulaC21H24N4O5
Molecular Weight412.45 g/mol
Exact Mass412.17
IUPAC NameN-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1-c1cc(C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)no1
InChIInChI=1S/C21H24N4O5/c1-29-16-8-3-2-7-14(16)17-13-15(24-30-17)18(26)22-11-6-12-25-19(27)21(23-20(25)28)9-4-5-10-21/h2-3,7-8,13H,4-6,9-12H2,1H3,(H,22,26)(H,23,28)
InChIKeyJHDDDNZAHLTBSE-UHFFFAOYSA-N
XLogP2.33
TPSA113.77 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.45
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

N-(5-hydroxy-4,4-dimethylpentyl)-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 166743704
N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-4-phenoxybenzamide
CID 41491009
N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-3-methyl-6-thiophen-2-yl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 43040626
N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-2,3-dimethyl-1H-indole-5-carboxamide
CID 41490708
N-[[4-fluoro-2-(trifluoromethyl)phenyl]methyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 46474674
N-[2-(3,5-dimethyl-1,2,4-triazol-1-yl)propyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 46963594
1-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-3-[(1R)-1-phenylethyl]urea
CID 51726491
5-(2-methoxyphenyl)-N-[(2S)-2-methyl-3-pyrazol-1-ylpropyl]-1,2-oxazole-3-carboxamide
CID 94809649
N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-6-fluoro-4-oxochromene-2-carboxamide
CID 166185491
5-(2-methoxyphenyl)-N-[(1S)-1-phenylethyl]-1,2-oxazole-3-carboxamide
CID 41098465
5-(2-methoxyphenyl)-N-[2-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxamide
CID 15988743
1-(2,5-dimethylphenyl)-N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-6-oxo-4,5-dihydropyridazine-3-carboxamide
CID 43004883

Frequently Asked Questions

What is the IUPAC name of N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide (CID 37340430) is N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide is COc1ccccc1-c1cc(C(=O)NCCCN2C(=O)NC3(CCCC3)C2=O)no1.
What is the InChIKey of N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is JHDDDNZAHLTBSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O5/c1-29-16-8-3-2-7-14(16)17-13-15(24-30-17)18(26)22-11-6-12-25-19(27)21(23-20(25)28)9-4-5-10-21/h2-3,7-8,13H,4-6,9-12H2,1H3,(H,22,26)(H,23,28).
What are the key properties of N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide?
N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 412.45 g/mol, XLogP of 2.33, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)propyl]-5-(2-methoxyphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 37340430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).