ethyl 4-[2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]acetyl]piperazine-1-carboxylate

C17H20N4O6 — CID 110305616

IUPACethyl 4-[2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CNC(=O)c2cc(-c3ccco3)on2)CC1
InChIInChI=1S/C17H20N4O6/c1-2-25-17(24)21-7-5-20(6-8-21)15(22)11-18-16(23)12-10-14(27-19-12)13-4-3-9-26-13/h3-4,9-10H,2,5-8,11H2,1H3,(H,18,23)
InChIKeyLROSQBWDPDLPRX-UHFFFAOYSA-N
MW376.37 g/mol
LogP0.97
Rot. Bonds5

About ethyl 4-[2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]acetyl]piperazine-1-carboxylate

ethyl 4-[2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]acetyl]piperazine-1-carboxylate (PubChem CID 110305616) has the molecular formula C17H20N4O6 and a molecular weight of 376.37 g/mol. Its IUPAC name is ethyl 4-[2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]acetyl]piperazine-1-carboxylate
PubChem CID110305616
Molecular FormulaC17H20N4O6
Molecular Weight376.37 g/mol
Exact Mass376.14
IUPAC Nameethyl 4-[2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CNC(=O)c2cc(-c3ccco3)on2)CC1
InChIInChI=1S/C17H20N4O6/c1-2-25-17(24)21-7-5-20(6-8-21)15(22)11-18-16(23)12-10-14(27-19-12)13-4-3-9-26-13/h3-4,9-10H,2,5-8,11H2,1H3,(H,18,23)
InChIKeyLROSQBWDPDLPRX-UHFFFAOYSA-N
XLogP0.97
TPSA118.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]acetyl]piperazine-1-carboxylate (CID 110305616) is ethyl 4-[2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CNC(=O)c2cc(-c3ccco3)on2)CC1.
What is the InChIKey of ethyl 4-[2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]acetyl]piperazine-1-carboxylate?
The InChIKey is LROSQBWDPDLPRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O6/c1-2-25-17(24)21-7-5-20(6-8-21)15(22)11-18-16(23)12-10-14(27-19-12)13-4-3-9-26-13/h3-4,9-10H,2,5-8,11H2,1H3,(H,18,23).
What are the key properties of ethyl 4-[2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]acetyl]piperazine-1-carboxylate?
ethyl 4-[2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]acetyl]piperazine-1-carboxylate has a molecular weight of 376.37 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]amino]acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 110305616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).