benzyl 4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxylate

C20H20N4O3 — CID 110642275

IUPACbenzyl 4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCN(c2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C20H20N4O3/c25-20(26-15-16-7-3-1-4-8-16)24-13-11-23(12-14-24)19-22-21-18(27-19)17-9-5-2-6-10-17/h1-10H,11-15H2
InChIKeyGUVJUFVWYWEABY-UHFFFAOYSA-N
MW364.40 g/mol
LogP3.20
Rot. Bonds4

About benzyl 4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxylate

benzyl 4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxylate (PubChem CID 110642275) has the molecular formula C20H20N4O3 and a molecular weight of 364.40 g/mol. Its IUPAC name is benzyl 4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Namebenzyl 4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxylate
PubChem CID110642275
Molecular FormulaC20H20N4O3
Molecular Weight364.40 g/mol
Exact Mass364.15
IUPAC Namebenzyl 4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxylate
SMILESO=C(OCc1ccccc1)N1CCN(c2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C20H20N4O3/c25-20(26-15-16-7-3-1-4-8-16)24-13-11-23(12-14-24)19-22-21-18(27-19)17-9-5-2-6-10-17/h1-10H,11-15H2
InChIKeyGUVJUFVWYWEABY-UHFFFAOYSA-N
XLogP3.20
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.40
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze benzyl 4-(5-phenyl-1,3,4-oxadiazol-2-yl)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

Related Compounds

tribenzyl 1,4,7-triazonane-1,4,7-tricarboxylate
CID 54056276
benzyl aziridine-1-carboxylate;silane
CID 158496499
(2-chlorophenyl)-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]methanone
CID 110416623
benzyl piperidine-1-carboxylate
CID 158057698
1-[4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-thiophen-2-ylethanone
CID 110642249
benzyl 4-(2-hydroxyphenyl)piperazine-1-carboxylate
CID 19034142
benzyl 4-(4-hydroxyphenyl)piperazine-1-carboxylate
CID 54123735
benzyl 3-phenyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carboxylate
CID 58417718
benzyl 4-(4-nitroso-1,3-benzoxazol-2-yl)piperazine-1-carboxylate
CID 89200760
benzyl 4-(2-aminophenyl)piperazine-1-carboxylate
CID 118318710
benzyl 4-carbamoyl-4-phenylpiperidine-1-carboxylate
CID 118012720
pyridin-4-ylmethyl 4-phenylpiperazine-1-carboxylate
CID 44511304

Frequently Asked Questions

What is the IUPAC name of benzyl 4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxylate?
The IUPAC name of benzyl 4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxylate (CID 110642275) is benzyl 4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxylate.
What is the SMILES notation for benzyl 4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxylate?
The canonical SMILES for benzyl 4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxylate is O=C(OCc1ccccc1)N1CCN(c2nnc(-c3ccccc3)o2)CC1.
What is the InChIKey of benzyl 4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxylate?
The InChIKey is GUVJUFVWYWEABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c25-20(26-15-16-7-3-1-4-8-16)24-13-11-23(12-14-24)19-22-21-18(27-19)17-9-5-2-6-10-17/h1-10H,11-15H2.
What are the key properties of benzyl 4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxylate?
benzyl 4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxylate has a molecular weight of 364.40 g/mol, XLogP of 3.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 4-(5-phenyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxylate is sourced from PubChem (CID 110642275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).