ethyl 1-[5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidine-3-carboxylate

C21H26N2O5 — CID 19443162

IUPACethyl 1-[5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2noc(C)c2COc2ccccc2C)C1
InChIInChI=1S/C21H26N2O5/c1-4-26-21(25)16-9-7-11-23(12-16)20(24)19-17(15(3)28-22-19)13-27-18-10-6-5-8-14(18)2/h5-6,8,10,16H,4,7,9,11-13H2,1-3H3
InChIKeyFAILFONQGIVVQJ-UHFFFAOYSA-N
MW386.45 g/mol
LogP3.29
Rot. Bonds6

About ethyl 1-[5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidine-3-carboxylate

ethyl 1-[5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidine-3-carboxylate (PubChem CID 19443162) has the molecular formula C21H26N2O5 and a molecular weight of 386.45 g/mol. Its IUPAC name is ethyl 1-[5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 1-[5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidine-3-carboxylate
PubChem CID19443162
Molecular FormulaC21H26N2O5
Molecular Weight386.45 g/mol
Exact Mass386.18
IUPAC Nameethyl 1-[5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidine-3-carboxylate
SMILESCCOC(=O)C1CCCN(C(=O)c2noc(C)c2COc2ccccc2C)C1
InChIInChI=1S/C21H26N2O5/c1-4-26-21(25)16-9-7-11-23(12-16)20(24)19-17(15(3)28-22-19)13-27-18-10-6-5-8-14(18)2/h5-6,8,10,16H,4,7,9,11-13H2,1-3H3
InChIKeyFAILFONQGIVVQJ-UHFFFAOYSA-N
XLogP3.29
TPSA81.87 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 1-[5-methyl-4-(phenoxymethyl)-1,2-oxazole-3-carbonyl]piperidine-4-carboxylate
CID 19486388
ethyl (3S)-1-(2-methylbenzoyl)piperidine-3-carboxylate
CID 81345354
ethyl 1-[N'-methyl-N-[2-(2-methylphenoxy)ethyl]carbamimidoyl]piperidine-3-carboxylate;hydroiodide
CID 110995074
ethyl (3S)-1-(2,6-dimethylbenzoyl)piperidine-3-carboxylate
CID 103783546
ethyl (3S)-1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperidine-3-carboxylate
CID 1147643
ethyl 1-(5-methyl-2-phenyltriazole-4-carbonyl)piperidine-3-carboxylate
CID 46532056
ethyl 1-[2-[(2-fluorophenoxy)methyl]-1,3-oxazole-4-carbonyl]piperidine-3-carboxylate
CID 45247251
ethyl (3R)-1-(2,3-dimethylbenzoyl)piperidine-3-carboxylate
CID 81338799
ethyl 1-(4-amino-5-methyl-1H-pyrazole-3-carbonyl)piperidine-3-carboxylate
CID 62081053
azepan-1-yl-[5-methyl-4-[(3-methylphenoxy)methyl]-1,2-oxazol-3-yl]methanone
CID 19488187
ethyl (3R)-1-(pyridine-4-carbonyl)piperidine-3-carboxylate
CID 81344217
ethyl (3R)-1-(4-benzoylbenzoyl)piperidine-3-carboxylate
CID 30283825

Frequently Asked Questions

What is the IUPAC name of ethyl 1-[5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidine-3-carboxylate?
The IUPAC name of ethyl 1-[5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidine-3-carboxylate (CID 19443162) is ethyl 1-[5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidine-3-carboxylate.
What is the SMILES notation for ethyl 1-[5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidine-3-carboxylate?
The canonical SMILES for ethyl 1-[5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidine-3-carboxylate is CCOC(=O)C1CCCN(C(=O)c2noc(C)c2COc2ccccc2C)C1.
What is the InChIKey of ethyl 1-[5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidine-3-carboxylate?
The InChIKey is FAILFONQGIVVQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O5/c1-4-26-21(25)16-9-7-11-23(12-16)20(24)19-17(15(3)28-22-19)13-27-18-10-6-5-8-14(18)2/h5-6,8,10,16H,4,7,9,11-13H2,1-3H3.
What are the key properties of ethyl 1-[5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidine-3-carboxylate?
ethyl 1-[5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidine-3-carboxylate has a molecular weight of 386.45 g/mol, XLogP of 3.29, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 1-[5-methyl-4-[(2-methylphenoxy)methyl]-1,2-oxazole-3-carbonyl]piperidine-3-carboxylate is sourced from PubChem (CID 19443162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).