Ethyl 5-(4-tert-butoxycarbonylaminopiperidin-1-ylmethyl)isoxazole-3-carboxylate

HCID 57360985

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Basic information

CAS: 1053656-21-5
Standard SMILES: CCOC(=O)c1cc(CN2CCC(NC(=O)OC(C)(C)C)CC2)on1
InChIKey: WRMOPCAPINIZMD-UHFFFAOYSA-N
Molecular formula: C17H27N3O5
Average molar mass: 353.4 g/mol
Monoisotopic mass: 353.19507097

Names & identifiers

Preferred name: Ethyl 5-(4-tert-butoxycarbonylaminopiperidin-1-ylmethyl)isoxazole-3-carboxylate
IUPAC: ethyl 5-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]methyl]-1,2-oxazole-3-carboxylate

Names & synonyms

1053656-21-5ETHYL 5-(4-TERT-BUTOXYCARBONYLAMINOPIPERIDIN-1-YLMETHYL)ISOXAZOLE-3-CARBOXYLATEEthyl 5-((4-((tert-butoxycarbonyl)amino)piperidin-1-yl)methyl)isoxazole-3-carboxylateMFCD11052380ethyl 5-[[4-[(2-methylpropan-2-yl)oxycarbonylamino]piperidin-1-yl]methyl]-1,2-oxazole-3-carboxylateDTXSID101118566F316446ethyl 5-[[4-(tert-butoxycarbonylamino)-1-piperidyl]methyl]isoxazole-3-carboxylateEthyl5-((4-((tert-butoxycarbonyl)amino)piperidin-1-yl)methyl)isoxazole-3-carboxylateETHYL 5-({4-[(TERT-BUTOXYCARBONYL)AMINO]PIPERIDIN-1-YL}METHYL)-1,2-OXAZOLE-3-CARBOXYLATEEthyl 5-[[4-[[(1,1-dimethylethoxy)carbonyl]amino]-1-piperidinyl]methyl]-3-isoxazolecarboxylate

Database identifiers

CAS: 1053656-21-5
PubChem CID: 57360985
DTXSID: DTXSID101118566

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 93.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 7
Rotatable bonds: 8
Heavy atoms: 25
Formal charge: 0
Complexity: 458

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