tert-butyl 4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxaline-5-carbonyl]piperazine-1-carboxylate

C26H33N7O4 — CID 54334985

IUPACtert-butyl 4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxaline-5-carbonyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)N2Cc3c(-c4noc(C(C)(C)C)n4)ncn3-c3ccccc32)CC1
InChIInChI=1S/C26H33N7O4/c1-25(2,3)22-28-21(29-37-22)20-19-15-32(17-9-7-8-10-18(17)33(19)16-27-20)23(34)30-11-13-31(14-12-30)24(35)36-26(4,5)6/h7-10,16H,11-15H2,1-6H3
InChIKeyTUVCUTNUIXDNKU-UHFFFAOYSA-N
MW507.60 g/mol
LogP4.21
Rot. Bonds1

About tert-butyl 4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxaline-5-carbonyl]piperazine-1-carboxylate

tert-butyl 4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxaline-5-carbonyl]piperazine-1-carboxylate (PubChem CID 54334985) has the molecular formula C26H33N7O4 and a molecular weight of 507.60 g/mol. Its IUPAC name is tert-butyl 4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxaline-5-carbonyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxaline-5-carbonyl]piperazine-1-carboxylate
PubChem CID54334985
Molecular FormulaC26H33N7O4
Molecular Weight507.60 g/mol
Exact Mass507.26
IUPAC Nametert-butyl 4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxaline-5-carbonyl]piperazine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CCN(C(=O)N2Cc3c(-c4noc(C(C)(C)C)n4)ncn3-c3ccccc32)CC1
InChIInChI=1S/C26H33N7O4/c1-25(2,3)22-28-21(29-37-22)20-19-15-32(17-9-7-8-10-18(17)33(19)16-27-20)23(34)30-11-13-31(14-12-30)24(35)36-26(4,5)6/h7-10,16H,11-15H2,1-6H3
InChIKeyTUVCUTNUIXDNKU-UHFFFAOYSA-N
XLogP4.21
TPSA109.83 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds1
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.60
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze tert-butyl 4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxaline-5-carbonyl]piperazine-1-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxaline-5-carbonyl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxaline-5-carbonyl]piperazine-1-carboxylate (CID 54334985) is tert-butyl 4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxaline-5-carbonyl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxaline-5-carbonyl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxaline-5-carbonyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C(=O)N2Cc3c(-c4noc(C(C)(C)C)n4)ncn3-c3ccccc32)CC1.
What is the InChIKey of tert-butyl 4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxaline-5-carbonyl]piperazine-1-carboxylate?
The InChIKey is TUVCUTNUIXDNKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N7O4/c1-25(2,3)22-28-21(29-37-22)20-19-15-32(17-9-7-8-10-18(17)33(19)16-27-20)23(34)30-11-13-31(14-12-30)24(35)36-26(4,5)6/h7-10,16H,11-15H2,1-6H3.
What are the key properties of tert-butyl 4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxaline-5-carbonyl]piperazine-1-carboxylate?
tert-butyl 4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxaline-5-carbonyl]piperazine-1-carboxylate has a molecular weight of 507.60 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[3-(5-tert-butyl-1,2,4-oxadiazol-3-yl)-4H-imidazo[1,5-a]quinoxaline-5-carbonyl]piperazine-1-carboxylate is sourced from PubChem (CID 54334985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).