N-[[(1R,2S,3R,4S)-4-hydroxy-6-(2-methoxyacetyl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide

C21H25N3O5 — CID 162631251

IUPACN-[[(1R,2S,3R,4S)-4-hydroxy-6-(2-methoxyacetyl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOCC(=O)N1C[C@@H](O)[C@@]2(C1)[C@H](CNC(=O)c1cc(C)on1)[C@H]2c1ccccc1
InChIInChI=1S/C21H25N3O5/c1-13-8-16(23-29-13)20(27)22-9-15-19(14-6-4-3-5-7-14)21(15)12-24(10-17(21)25)18(26)11-28-2/h3-8,15,17,19,25H,9-12H2,1-2H3,(H,22,27)/t15-,17-,19-,21-/m1/s1
InChIKeyQPRONQVMNDLQRO-STQYRHOTSA-N
MW399.45 g/mol
LogP0.96
Rot. Bonds6

About N-[[(1R,2S,3R,4S)-4-hydroxy-6-(2-methoxyacetyl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[[(1R,2S,3R,4S)-4-hydroxy-6-(2-methoxyacetyl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 162631251) has the molecular formula C21H25N3O5 and a molecular weight of 399.45 g/mol. Its IUPAC name is N-[[(1R,2S,3R,4S)-4-hydroxy-6-(2-methoxyacetyl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[[(1R,2S,3R,4S)-4-hydroxy-6-(2-methoxyacetyl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID162631251
Molecular FormulaC21H25N3O5
Molecular Weight399.45 g/mol
Exact Mass399.18
IUPAC NameN-[[(1R,2S,3R,4S)-4-hydroxy-6-(2-methoxyacetyl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCOCC(=O)N1C[C@@H](O)[C@@]2(C1)[C@H](CNC(=O)c1cc(C)on1)[C@H]2c1ccccc1
InChIInChI=1S/C21H25N3O5/c1-13-8-16(23-29-13)20(27)22-9-15-19(14-6-4-3-5-7-14)21(15)12-24(10-17(21)25)18(26)11-28-2/h3-8,15,17,19,25H,9-12H2,1-2H3,(H,22,27)/t15-,17-,19-,21-/m1/s1
InChIKeyQPRONQVMNDLQRO-STQYRHOTSA-N
XLogP0.96
TPSA104.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[(1R,2S,3R,4S)-4-hydroxy-6-(2-methoxyacetyl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide with MolForge

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Related Compounds

2-(4-ethoxyphenyl)-1-[(1R,2S,3R,4R)-4-hydroxy-1-(hydroxymethyl)-2-phenyl-6-azaspiro[2.4]heptan-6-yl]ethanone
CID 155496543
N-[[3,4-dihydroxy-1-(methoxymethyl)cyclopentyl]methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 162921091
N-[[(1R,2S,3R,4S)-4-hydroxy-2-phenyl-6-(pyrimidin-5-ylmethyl)-6-azaspiro[2.4]heptan-1-yl]methyl]-3-methoxypropanamide
CID 162637435
[(1R,2S,3R,4R)-4-hydroxy-1-(hydroxymethyl)-2-phenyl-6-azaspiro[2.4]heptan-6-yl]-(4-methoxy-3-methylphenyl)methanone
CID 155501756
1-[(1R,2S,3R,4R)-4-hydroxy-1-(hydroxymethyl)-2-phenyl-6-azaspiro[2.4]heptan-6-yl]-2-(8-methylimidazo[1,2-a]pyridin-3-yl)ethanone
CID 155504883
5-methyl-N-[[1-[2-(2-oxo-1-pyridinyl)acetyl]piperidin-4-yl]methyl]-1,2-oxazole-3-carboxamide
CID 131917051
[(1R,2S,3R,4S)-4-hydroxy-1-(hydroxymethyl)-2-phenyl-6-azaspiro[2.4]heptan-6-yl]-pyridin-4-ylmethanone
CID 155503199
(5-fluoro-2-methylphenyl)-[(1R,2S,3R,4S)-4-hydroxy-1-(hydroxymethyl)-2-phenyl-6-azaspiro[2.4]heptan-6-yl]methanone
CID 155506767
[(1R,2S,3R,4R)-4-hydroxy-1-(hydroxymethyl)-2-phenyl-6-azaspiro[2.4]heptan-6-yl]-pyrazolo[1,5-a]pyrimidin-2-ylmethanone
CID 155508417
2-ethoxy-N-[[(1R,2S,3R,4S)-4-hydroxy-2-phenyl-6-(3,3,3-trifluoropropyl)-6-azaspiro[2.4]heptan-1-yl]methyl]acetamide
CID 157011023
N-[(1,1-dioxo-2-phenyl-1,2-thiazolidin-5-yl)methyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 166297082
5-methyl-N-[[(3S)-1-[(4-phenoxyphenyl)carbamoyl]piperidin-3-yl]methyl]-1,2-oxazole-3-carboxamide
CID 42377077

Frequently Asked Questions

What is the IUPAC name of N-[[(1R,2S,3R,4S)-4-hydroxy-6-(2-methoxyacetyl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[[(1R,2S,3R,4S)-4-hydroxy-6-(2-methoxyacetyl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 162631251) is N-[[(1R,2S,3R,4S)-4-hydroxy-6-(2-methoxyacetyl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[[(1R,2S,3R,4S)-4-hydroxy-6-(2-methoxyacetyl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[[(1R,2S,3R,4S)-4-hydroxy-6-(2-methoxyacetyl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide is COCC(=O)N1C[C@@H](O)[C@@]2(C1)[C@H](CNC(=O)c1cc(C)on1)[C@H]2c1ccccc1.
What is the InChIKey of N-[[(1R,2S,3R,4S)-4-hydroxy-6-(2-methoxyacetyl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is QPRONQVMNDLQRO-STQYRHOTSA-N. The full InChI is InChI=1S/C21H25N3O5/c1-13-8-16(23-29-13)20(27)22-9-15-19(14-6-4-3-5-7-14)21(15)12-24(10-17(21)25)18(26)11-28-2/h3-8,15,17,19,25H,9-12H2,1-2H3,(H,22,27)/t15-,17-,19-,21-/m1/s1.
What are the key properties of N-[[(1R,2S,3R,4S)-4-hydroxy-6-(2-methoxyacetyl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[[(1R,2S,3R,4S)-4-hydroxy-6-(2-methoxyacetyl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 399.45 g/mol, XLogP of 0.96, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(1R,2S,3R,4S)-4-hydroxy-6-(2-methoxyacetyl)-2-phenyl-6-azaspiro[2.4]heptan-1-yl]methyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 162631251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).