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

C16H20N4O4 — CID 3237185

IUPACethyl 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc(-c3ccc(OC)cc3)no2)CC1
InChIInChI=1S/C16H20N4O4/c1-3-23-16(21)20-10-8-19(9-11-20)15-17-14(18-24-15)12-4-6-13(22-2)7-5-12/h4-7H,3,8-11H2,1-2H3
InChIKeyVGSAZJICFWDNRM-UHFFFAOYSA-N
MW332.36 g/mol
LogP2.02
Rot. Bonds4

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

ethyl 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazine-1-carboxylate (PubChem CID 3237185) has the molecular formula C16H20N4O4 and a molecular weight of 332.36 g/mol. Its IUPAC name is ethyl 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazine-1-carboxylate
PubChem CID3237185
Molecular FormulaC16H20N4O4
Molecular Weight332.36 g/mol
Exact Mass332.15
IUPAC Nameethyl 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2nc(-c3ccc(OC)cc3)no2)CC1
InChIInChI=1S/C16H20N4O4/c1-3-23-16(21)20-10-8-19(9-11-20)15-17-14(18-24-15)12-4-6-13(22-2)7-5-12/h4-7H,3,8-11H2,1-2H3
InChIKeyVGSAZJICFWDNRM-UHFFFAOYSA-N
XLogP2.02
TPSA80.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.36
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazine-1-carboxylate (CID 3237185) is ethyl 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2nc(-c3ccc(OC)cc3)no2)CC1.
What is the InChIKey of ethyl 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazine-1-carboxylate?
The InChIKey is VGSAZJICFWDNRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4/c1-3-23-16(21)20-10-8-19(9-11-20)15-17-14(18-24-15)12-4-6-13(22-2)7-5-12/h4-7H,3,8-11H2,1-2H3.
What are the key properties of ethyl 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazine-1-carboxylate?
ethyl 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazine-1-carboxylate has a molecular weight of 332.36 g/mol, XLogP of 2.02, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazine-1-carboxylate is sourced from PubChem (CID 3237185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).