diethyl 2-[(2-piperidin-4-yl-1,3-oxazole-4-carbonyl)amino]pentanedioate

C18H27N3O6 — CID 3852120

IUPACdiethyl 2-[(2-piperidin-4-yl-1,3-oxazole-4-carbonyl)amino]pentanedioate
SMILESCCOC(=O)CCC(NC(=O)c1coc(C2CCNCC2)n1)C(=O)OCC
InChIInChI=1S/C18H27N3O6/c1-3-25-15(22)6-5-13(18(24)26-4-2)20-16(23)14-11-27-17(21-14)12-7-9-19-10-8-12/h11-13,19H,3-10H2,1-2H3,(H,20,23)
InChIKeyUPAZNZLZHDDQMU-UHFFFAOYSA-N
MW381.43 g/mol
LogP1.15
Rot. Bonds9

About diethyl 2-[(2-piperidin-4-yl-1,3-oxazole-4-carbonyl)amino]pentanedioate

diethyl 2-[(2-piperidin-4-yl-1,3-oxazole-4-carbonyl)amino]pentanedioate (PubChem CID 3852120) has the molecular formula C18H27N3O6 and a molecular weight of 381.43 g/mol. Its IUPAC name is diethyl 2-[(2-piperidin-4-yl-1,3-oxazole-4-carbonyl)amino]pentanedioate.

Molecular Properties

Compound Namediethyl 2-[(2-piperidin-4-yl-1,3-oxazole-4-carbonyl)amino]pentanedioate
PubChem CID3852120
Molecular FormulaC18H27N3O6
Molecular Weight381.43 g/mol
Exact Mass381.19
IUPAC Namediethyl 2-[(2-piperidin-4-yl-1,3-oxazole-4-carbonyl)amino]pentanedioate
SMILESCCOC(=O)CCC(NC(=O)c1coc(C2CCNCC2)n1)C(=O)OCC
InChIInChI=1S/C18H27N3O6/c1-3-25-15(22)6-5-13(18(24)26-4-2)20-16(23)14-11-27-17(21-14)12-7-9-19-10-8-12/h11-13,19H,3-10H2,1-2H3,(H,20,23)
InChIKeyUPAZNZLZHDDQMU-UHFFFAOYSA-N
XLogP1.15
TPSA119.76 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.43
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-[(2-piperidin-4-yl-1,3-oxazole-4-carbonyl)amino]pentanedioate?
The IUPAC name of diethyl 2-[(2-piperidin-4-yl-1,3-oxazole-4-carbonyl)amino]pentanedioate (CID 3852120) is diethyl 2-[(2-piperidin-4-yl-1,3-oxazole-4-carbonyl)amino]pentanedioate.
What is the SMILES notation for diethyl 2-[(2-piperidin-4-yl-1,3-oxazole-4-carbonyl)amino]pentanedioate?
The canonical SMILES for diethyl 2-[(2-piperidin-4-yl-1,3-oxazole-4-carbonyl)amino]pentanedioate is CCOC(=O)CCC(NC(=O)c1coc(C2CCNCC2)n1)C(=O)OCC.
What is the InChIKey of diethyl 2-[(2-piperidin-4-yl-1,3-oxazole-4-carbonyl)amino]pentanedioate?
The InChIKey is UPAZNZLZHDDQMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H27N3O6/c1-3-25-15(22)6-5-13(18(24)26-4-2)20-16(23)14-11-27-17(21-14)12-7-9-19-10-8-12/h11-13,19H,3-10H2,1-2H3,(H,20,23).
What are the key properties of diethyl 2-[(2-piperidin-4-yl-1,3-oxazole-4-carbonyl)amino]pentanedioate?
diethyl 2-[(2-piperidin-4-yl-1,3-oxazole-4-carbonyl)amino]pentanedioate has a molecular weight of 381.43 g/mol, XLogP of 1.15, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-[(2-piperidin-4-yl-1,3-oxazole-4-carbonyl)amino]pentanedioate is sourced from PubChem (CID 3852120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).