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

C21H22N4O3 — CID 110658516

IUPACphenyl 4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazine-1-carboxylate
SMILESO=C(Oc1ccccc1)N1CCN(CCc2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C21H22N4O3/c26-21(27-18-9-5-2-6-10-18)25-15-13-24(14-16-25)12-11-19-22-23-20(28-19)17-7-3-1-4-8-17/h1-10H,11-16H2
InChIKeyAMRLODKTBGQMEB-UHFFFAOYSA-N
MW378.43 g/mol
LogP3.10
Rot. Bonds5

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

phenyl 4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazine-1-carboxylate (PubChem CID 110658516) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is phenyl 4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazine-1-carboxylate.

Molecular Properties

Compound Namephenyl 4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazine-1-carboxylate
PubChem CID110658516
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Namephenyl 4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazine-1-carboxylate
SMILESO=C(Oc1ccccc1)N1CCN(CCc2nnc(-c3ccccc3)o2)CC1
InChIInChI=1S/C21H22N4O3/c26-21(27-18-9-5-2-6-10-18)25-15-13-24(14-16-25)12-11-19-22-23-20(28-19)17-7-3-1-4-8-17/h1-10H,11-16H2
InChIKeyAMRLODKTBGQMEB-UHFFFAOYSA-N
XLogP3.10
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

phenyl 4-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]piperazine-1-carboxylate
CID 110395770
phenyl-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone
CID 110658449
1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one
CID 110658437
2-methyl-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one
CID 110658439
2-ethyl-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]butan-1-one
CID 110658447
3-(3-methoxyphenyl)-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]propan-1-one
CID 110658534
2-phenyl-5-[2-(4-phenylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 110653684
4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]morpholine
CID 110653646
2-[2-(4-ethylsulfonylpiperazin-1-yl)ethyl]-5-phenyl-1,3,4-oxadiazole
CID 110658538
2-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]-5-phenyl-1,3,4-oxadiazole
CID 110658537
(2-chloro-6-fluorophenyl)-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]methanone
CID 110658504
2-(1H-indol-3-yl)-1-[4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazin-1-yl]ethanone
CID 110658473

Frequently Asked Questions

What is the IUPAC name of phenyl 4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazine-1-carboxylate?
The IUPAC name of phenyl 4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazine-1-carboxylate (CID 110658516) is phenyl 4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazine-1-carboxylate.
What is the SMILES notation for phenyl 4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazine-1-carboxylate?
The canonical SMILES for phenyl 4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazine-1-carboxylate is O=C(Oc1ccccc1)N1CCN(CCc2nnc(-c3ccccc3)o2)CC1.
What is the InChIKey of phenyl 4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazine-1-carboxylate?
The InChIKey is AMRLODKTBGQMEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O3/c26-21(27-18-9-5-2-6-10-18)25-15-13-24(14-16-25)12-11-19-22-23-20(28-19)17-7-3-1-4-8-17/h1-10H,11-16H2.
What are the key properties of phenyl 4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazine-1-carboxylate?
phenyl 4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazine-1-carboxylate has a molecular weight of 378.43 g/mol, XLogP of 3.10, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl 4-[2-(5-phenyl-1,3,4-oxadiazol-2-yl)ethyl]piperazine-1-carboxylate is sourced from PubChem (CID 110658516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).