5-(2,5-dimethoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)-1,2-oxazole-3-carboxamide

C25H33N3O6 — CID 93143825

IUPAC5-(2,5-dimethoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)N(CCC(=O)N3CCCCC3)C[C@H]3CCCO3)no2)c1
InChIInChI=1S/C25H33N3O6/c1-31-18-8-9-22(32-2)20(15-18)23-16-21(26-34-23)25(30)28(17-19-7-6-14-33-19)13-10-24(29)27-11-4-3-5-12-27/h8-9,15-16,19H,3-7,10-14,17H2,1-2H3/t19-/m1/s1
InChIKeyVDIJFQGULUWOMK-LJQANCHMSA-N
MW471.55 g/mol
LogP3.38
Rot. Bonds9

About 5-(2,5-dimethoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)-1,2-oxazole-3-carboxamide

5-(2,5-dimethoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)-1,2-oxazole-3-carboxamide (PubChem CID 93143825) has the molecular formula C25H33N3O6 and a molecular weight of 471.55 g/mol. Its IUPAC name is 5-(2,5-dimethoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-(2,5-dimethoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)-1,2-oxazole-3-carboxamide
PubChem CID93143825
Molecular FormulaC25H33N3O6
Molecular Weight471.55 g/mol
Exact Mass471.24
IUPAC Name5-(2,5-dimethoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(OC)c(-c2cc(C(=O)N(CCC(=O)N3CCCCC3)C[C@H]3CCCO3)no2)c1
InChIInChI=1S/C25H33N3O6/c1-31-18-8-9-22(32-2)20(15-18)23-16-21(26-34-23)25(30)28(17-19-7-6-14-33-19)13-10-24(29)27-11-4-3-5-12-27/h8-9,15-16,19H,3-7,10-14,17H2,1-2H3/t19-/m1/s1
InChIKeyVDIJFQGULUWOMK-LJQANCHMSA-N
XLogP3.38
TPSA94.34 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.55
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2,5-dimethoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-[3-oxo-3-[[(2R)-oxolan-2-yl]methylamino]propyl]-1,2-oxazole-3-carboxamide
CID 93143813
5-(2-chlorophenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 93143401
5-(2,5-dimethylphenyl)-N-(3-morpholin-4-yl-3-oxopropyl)-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 93143878
N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-4-methoxy-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 93143277
5-(2,4-dichlorophenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 93143428
N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-methoxy-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 93143290
ethyl 1-[3-[[5-(2,4-dichlorophenyl)-1,2-oxazole-3-carbonyl]-[[(2S)-oxolan-2-yl]methyl]amino]propanoyl]piperidine-4-carboxylate
CID 98291897
ethyl (3S)-1-[3-[[5-(2,4-dichlorophenyl)-1,2-oxazole-3-carbonyl]-[[(2R)-oxolan-2-yl]methyl]amino]propanoyl]piperidine-3-carboxylate
CID 98291895
4-chloro-N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 93143286
5-(3-chlorophenyl)-N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-N-[[(2S)-oxolan-2-yl]methyl]-1,2-oxazole-3-carboxamide
CID 93140770
N-[[5-(2,5-dimethoxyphenyl)-1,2-oxazol-3-yl]methyl]-3-fluoro-N-[[(2S)-oxolan-2-yl]methyl]benzamide
CID 93143284
3-[[2-(2-methoxyphenyl)-1,3-thiazole-4-carbonyl]-[[(2R)-oxolan-2-yl]methyl]amino]propanoic acid
CID 125154391

Frequently Asked Questions

What is the IUPAC name of 5-(2,5-dimethoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-(2,5-dimethoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)-1,2-oxazole-3-carboxamide (CID 93143825) is 5-(2,5-dimethoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-(2,5-dimethoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-(2,5-dimethoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)-1,2-oxazole-3-carboxamide is COc1ccc(OC)c(-c2cc(C(=O)N(CCC(=O)N3CCCCC3)C[C@H]3CCCO3)no2)c1.
What is the InChIKey of 5-(2,5-dimethoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)-1,2-oxazole-3-carboxamide?
The InChIKey is VDIJFQGULUWOMK-LJQANCHMSA-N. The full InChI is InChI=1S/C25H33N3O6/c1-31-18-8-9-22(32-2)20(15-18)23-16-21(26-34-23)25(30)28(17-19-7-6-14-33-19)13-10-24(29)27-11-4-3-5-12-27/h8-9,15-16,19H,3-7,10-14,17H2,1-2H3/t19-/m1/s1.
What are the key properties of 5-(2,5-dimethoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)-1,2-oxazole-3-carboxamide?
5-(2,5-dimethoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)-1,2-oxazole-3-carboxamide has a molecular weight of 471.55 g/mol, XLogP of 3.38, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,5-dimethoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 93143825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).