ethyl 4-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzoyl]piperazine-1-carboxylate

C26H25N7O4 — CID 59472015

IUPACethyl 4-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccc(-c3cnc(N)c(-c4nnc(-c5ccccc5)o4)n3)cc2)CC1
InChIInChI=1S/C26H25N7O4/c1-2-36-26(35)33-14-12-32(13-15-33)25(34)19-10-8-17(9-11-19)20-16-28-22(27)21(29-20)24-31-30-23(37-24)18-6-4-3-5-7-18/h3-11,16H,2,12-15H2,1H3,(H2,27,28)
InChIKeyQULNJLCXODMKIF-UHFFFAOYSA-N
MW499.53 g/mol
LogP3.36
Rot. Bonds5

About ethyl 4-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzoyl]piperazine-1-carboxylate

ethyl 4-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzoyl]piperazine-1-carboxylate (PubChem CID 59472015) has the molecular formula C26H25N7O4 and a molecular weight of 499.53 g/mol. Its IUPAC name is ethyl 4-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzoyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzoyl]piperazine-1-carboxylate
PubChem CID59472015
Molecular FormulaC26H25N7O4
Molecular Weight499.53 g/mol
Exact Mass499.20
IUPAC Nameethyl 4-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzoyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)c2ccc(-c3cnc(N)c(-c4nnc(-c5ccccc5)o4)n3)cc2)CC1
InChIInChI=1S/C26H25N7O4/c1-2-36-26(35)33-14-12-32(13-15-33)25(34)19-10-8-17(9-11-19)20-16-28-22(27)21(29-20)24-31-30-23(37-24)18-6-4-3-5-7-18/h3-11,16H,2,12-15H2,1H3,(H2,27,28)
InChIKeyQULNJLCXODMKIF-UHFFFAOYSA-N
XLogP3.36
TPSA140.57 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.53
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzoyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzoyl]piperazine-1-carboxylate (CID 59472015) is ethyl 4-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzoyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzoyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzoyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)c2ccc(-c3cnc(N)c(-c4nnc(-c5ccccc5)o4)n3)cc2)CC1.
What is the InChIKey of ethyl 4-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzoyl]piperazine-1-carboxylate?
The InChIKey is QULNJLCXODMKIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25N7O4/c1-2-36-26(35)33-14-12-32(13-15-33)25(34)19-10-8-17(9-11-19)20-16-28-22(27)21(29-20)24-31-30-23(37-24)18-6-4-3-5-7-18/h3-11,16H,2,12-15H2,1H3,(H2,27,28).
What are the key properties of ethyl 4-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzoyl]piperazine-1-carboxylate?
ethyl 4-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzoyl]piperazine-1-carboxylate has a molecular weight of 499.53 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[4-[5-amino-6-(5-phenyl-1,3,4-oxadiazol-2-yl)pyrazin-2-yl]benzoyl]piperazine-1-carboxylate is sourced from PubChem (CID 59472015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).