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

C18H23N5O5 — CID 71784497

IUPACethyl 4-[2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CN2CC(c3nc(-c4ccco4)no3)C2)CC1
InChIInChI=1S/C18H23N5O5/c1-2-26-18(25)23-7-5-22(6-8-23)15(24)12-21-10-13(11-21)17-19-16(20-28-17)14-4-3-9-27-14/h3-4,9,13H,2,5-8,10-12H2,1H3
InChIKeyWOCNOQVPZPRRFH-UHFFFAOYSA-N
MW389.41 g/mol
LogP1.03
Rot. Bonds5

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

ethyl 4-[2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetyl]piperazine-1-carboxylate (PubChem CID 71784497) has the molecular formula C18H23N5O5 and a molecular weight of 389.41 g/mol. Its IUPAC name is ethyl 4-[2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetyl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetyl]piperazine-1-carboxylate
PubChem CID71784497
Molecular FormulaC18H23N5O5
Molecular Weight389.41 g/mol
Exact Mass389.17
IUPAC Nameethyl 4-[2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetyl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(C(=O)CN2CC(c3nc(-c4ccco4)no3)C2)CC1
InChIInChI=1S/C18H23N5O5/c1-2-26-18(25)23-7-5-22(6-8-23)15(24)12-21-10-13(11-21)17-19-16(20-28-17)14-4-3-9-27-14/h3-4,9,13H,2,5-8,10-12H2,1H3
InChIKeyWOCNOQVPZPRRFH-UHFFFAOYSA-N
XLogP1.03
TPSA105.15 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.41
LogP ≤ 51.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-[2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetyl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetyl]piperazine-1-carboxylate (CID 71784497) is ethyl 4-[2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetyl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetyl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetyl]piperazine-1-carboxylate is CCOC(=O)N1CCN(C(=O)CN2CC(c3nc(-c4ccco4)no3)C2)CC1.
What is the InChIKey of ethyl 4-[2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetyl]piperazine-1-carboxylate?
The InChIKey is WOCNOQVPZPRRFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O5/c1-2-26-18(25)23-7-5-22(6-8-23)15(24)12-21-10-13(11-21)17-19-16(20-28-17)14-4-3-9-27-14/h3-4,9,13H,2,5-8,10-12H2,1H3.
What are the key properties of ethyl 4-[2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetyl]piperazine-1-carboxylate?
ethyl 4-[2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetyl]piperazine-1-carboxylate has a molecular weight of 389.41 g/mol, XLogP of 1.03, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[2-[3-[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]azetidin-1-yl]acetyl]piperazine-1-carboxylate is sourced from PubChem (CID 71784497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).