ethyl (3R)-1-[3-[2-methoxyethyl-[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]amino]propanoyl]piperidine-3-carboxylate

C25H33N3O7 — CID 93140508

IUPACethyl (3R)-1-[3-[2-methoxyethyl-[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]amino]propanoyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)CCN(CCOC)C(=O)c2cc(-c3ccccc3OC)on2)C1
InChIInChI=1S/C25H33N3O7/c1-4-34-25(31)18-8-7-12-28(17-18)23(29)11-13-27(14-15-32-2)24(30)20-16-22(35-26-20)19-9-5-6-10-21(19)33-3/h5-6,9-10,16,18H,4,7-8,11-15,17H2,1-3H3/t18-/m1/s1
InChIKeyIFKJODGXXPVMLO-GOSISDBHSA-N
MW487.55 g/mol
LogP2.63
Rot. Bonds11

About ethyl (3R)-1-[3-[2-methoxyethyl-[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]amino]propanoyl]piperidine-3-carboxylate

ethyl (3R)-1-[3-[2-methoxyethyl-[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]amino]propanoyl]piperidine-3-carboxylate (PubChem CID 93140508) has the molecular formula C25H33N3O7 and a molecular weight of 487.55 g/mol. Its IUPAC name is ethyl (3R)-1-[3-[2-methoxyethyl-[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]amino]propanoyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R)-1-[3-[2-methoxyethyl-[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]amino]propanoyl]piperidine-3-carboxylate
PubChem CID93140508
Molecular FormulaC25H33N3O7
Molecular Weight487.55 g/mol
Exact Mass487.23
IUPAC Nameethyl (3R)-1-[3-[2-methoxyethyl-[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]amino]propanoyl]piperidine-3-carboxylate
SMILESCCOC(=O)[C@@H]1CCCN(C(=O)CCN(CCOC)C(=O)c2cc(-c3ccccc3OC)on2)C1
InChIInChI=1S/C25H33N3O7/c1-4-34-25(31)18-8-7-12-28(17-18)23(29)11-13-27(14-15-32-2)24(30)20-16-22(35-26-20)19-9-5-6-10-21(19)33-3/h5-6,9-10,16,18H,4,7-8,11-15,17H2,1-3H3/t18-/m1/s1
InChIKeyIFKJODGXXPVMLO-GOSISDBHSA-N
XLogP2.63
TPSA111.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.55
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze ethyl (3R)-1-[3-[2-methoxyethyl-[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]amino]propanoyl]piperidine-3-carboxylate with MolForge

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Related Compounds

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
ethyl 1-[3-[benzoyl(propyl)amino]propanoyl]piperidine-3-carboxylate
CID 42698854
5-(2,5-dimethoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(3-oxo-3-piperidin-1-ylpropyl)-1,2-oxazole-3-carboxamide
CID 93143825
ethyl 1-[1-ethyl-3-(2-methoxyphenyl)pyrazole-5-carbonyl]piperidine-3-carboxylate
CID 46105384
5-(2,5-dimethylphenyl)-N-(2-methoxyethyl)-N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]-1,2-oxazole-3-carboxamide
CID 51070741
ethyl 1-[3-[(3-methoxyphenyl)carbamoyl-(2-phenylethyl)amino]propanoyl]piperidine-3-carboxylate
CID 3613076
ethyl 1-[3-[benzyl-(2,5-dimethylfuran-3-carbonyl)amino]propanoyl]piperidine-3-carboxylate
CID 4153618
ethyl (3R)-1-[3-(2,3-dimethoxyphenyl)propanoyl]piperidine-3-carboxylate
CID 94014719
5-(2-chlorophenyl)-N-(2-methylpropyl)-N-(3-oxo-3-piperidin-1-ylpropyl)-1,2-oxazole-3-carboxamide
CID 42822924
ethyl (3S)-1-[3-(3,4-dimethoxyphenyl)propanoyl]piperidine-3-carboxylate
CID 94014542
ethyl 1-[3-[butyl-[(3-cyanophenyl)carbamoyl]amino]propanoyl]piperidine-3-carboxylate
CID 42698680
ethyl 1-[2-(N-methylanilino)acetyl]piperidine-3-carboxylate
CID 78782540

Frequently Asked Questions

What is the IUPAC name of ethyl (3R)-1-[3-[2-methoxyethyl-[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]amino]propanoyl]piperidine-3-carboxylate?
The IUPAC name of ethyl (3R)-1-[3-[2-methoxyethyl-[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]amino]propanoyl]piperidine-3-carboxylate (CID 93140508) is ethyl (3R)-1-[3-[2-methoxyethyl-[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]amino]propanoyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl (3R)-1-[3-[2-methoxyethyl-[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]amino]propanoyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl (3R)-1-[3-[2-methoxyethyl-[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]amino]propanoyl]piperidine-3-carboxylate is CCOC(=O)[C@@H]1CCCN(C(=O)CCN(CCOC)C(=O)c2cc(-c3ccccc3OC)on2)C1.
What is the InChIKey of ethyl (3R)-1-[3-[2-methoxyethyl-[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]amino]propanoyl]piperidine-3-carboxylate?
The InChIKey is IFKJODGXXPVMLO-GOSISDBHSA-N. The full InChI is InChI=1S/C25H33N3O7/c1-4-34-25(31)18-8-7-12-28(17-18)23(29)11-13-27(14-15-32-2)24(30)20-16-22(35-26-20)19-9-5-6-10-21(19)33-3/h5-6,9-10,16,18H,4,7-8,11-15,17H2,1-3H3/t18-/m1/s1.
What are the key properties of ethyl (3R)-1-[3-[2-methoxyethyl-[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]amino]propanoyl]piperidine-3-carboxylate?
ethyl (3R)-1-[3-[2-methoxyethyl-[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]amino]propanoyl]piperidine-3-carboxylate has a molecular weight of 487.55 g/mol, XLogP of 2.63, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R)-1-[3-[2-methoxyethyl-[5-(2-methoxyphenyl)-1,2-oxazole-3-carbonyl]amino]propanoyl]piperidine-3-carboxylate is sourced from PubChem (CID 93140508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).