methyl 4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxylate

C10H16N4O3 — CID 110419224

IUPACmethyl 4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxylate
SMILESCCc1nnc(N2CCN(C(=O)OC)CC2)o1
InChIInChI=1S/C10H16N4O3/c1-3-8-11-12-9(17-8)13-4-6-14(7-5-13)10(15)16-2/h3-7H2,1-2H3
InChIKeyVJLALRYZZVBKCU-UHFFFAOYSA-N
MW240.26 g/mol
LogP0.52
Rot. Bonds2

About methyl 4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxylate

methyl 4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxylate (PubChem CID 110419224) has the molecular formula C10H16N4O3 and a molecular weight of 240.26 g/mol. Its IUPAC name is methyl 4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Namemethyl 4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxylate
PubChem CID110419224
Molecular FormulaC10H16N4O3
Molecular Weight240.26 g/mol
Exact Mass240.12
IUPAC Namemethyl 4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxylate
SMILESCCc1nnc(N2CCN(C(=O)OC)CC2)o1
InChIInChI=1S/C10H16N4O3/c1-3-8-11-12-9(17-8)13-4-6-14(7-5-13)10(15)16-2/h3-7H2,1-2H3
InChIKeyVJLALRYZZVBKCU-UHFFFAOYSA-N
XLogP0.52
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.26
LogP ≤ 50.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2,2-dimethylpropan-1-one
CID 110603080
[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(4-methoxyphenyl)methanone
CID 110419180
[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 110603084
4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-amine
CID 118964286
[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(oxolan-2-yl)methanone
CID 110419164
tert-butyl N-[1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-methyl-1-oxopentan-2-yl]carbamate
CID 110419882
[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(4-pyrrol-1-ylphenyl)methanone
CID 110417276
2-cyclopentyl-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 110610820
1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-4-(4-methylphenyl)butan-1-one
CID 110617475
1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 110665149
(E)-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-3-(2-fluorophenyl)-2-methylprop-2-en-1-one
CID 110417316
3-(3-chlorophenyl)-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
CID 110610756

Frequently Asked Questions

What is the IUPAC name of methyl 4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxylate?
The IUPAC name of methyl 4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxylate (CID 110419224) is methyl 4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxylate.
What is the SMILES notation for methyl 4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxylate?
The canonical SMILES for methyl 4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxylate is CCc1nnc(N2CCN(C(=O)OC)CC2)o1.
What is the InChIKey of methyl 4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxylate?
The InChIKey is VJLALRYZZVBKCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O3/c1-3-8-11-12-9(17-8)13-4-6-14(7-5-13)10(15)16-2/h3-7H2,1-2H3.
What are the key properties of methyl 4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxylate?
methyl 4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxylate has a molecular weight of 240.26 g/mol, XLogP of 0.52, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazine-1-carboxylate is sourced from PubChem (CID 110419224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).