N-[2-[4-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethyl]furan-2-carboxamide

C22H27N5O4 — CID 30870859

IUPACN-[2-[4-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethyl]furan-2-carboxamide
SMILESCCOc1ccc(-c2noc(CN3CCN(CCNC(=O)c4ccco4)CC3)n2)cc1
InChIInChI=1S/C22H27N5O4/c1-2-29-18-7-5-17(6-8-18)21-24-20(31-25-21)16-27-13-11-26(12-14-27)10-9-23-22(28)19-4-3-15-30-19/h3-8,15H,2,9-14,16H2,1H3,(H,23,28)
InChIKeyYDEJQNIFGIMMDP-UHFFFAOYSA-N
MW425.49 g/mol
LogP2.28
Rot. Bonds9

About N-[2-[4-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethyl]furan-2-carboxamide

N-[2-[4-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethyl]furan-2-carboxamide (PubChem CID 30870859) has the molecular formula C22H27N5O4 and a molecular weight of 425.49 g/mol. Its IUPAC name is N-[2-[4-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethyl]furan-2-carboxamide
PubChem CID30870859
Molecular FormulaC22H27N5O4
Molecular Weight425.49 g/mol
Exact Mass425.21
IUPAC NameN-[2-[4-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethyl]furan-2-carboxamide
SMILESCCOc1ccc(-c2noc(CN3CCN(CCNC(=O)c4ccco4)CC3)n2)cc1
InChIInChI=1S/C22H27N5O4/c1-2-29-18-7-5-17(6-8-18)21-24-20(31-25-21)16-27-13-11-26(12-14-27)10-9-23-22(28)19-4-3-15-30-19/h3-8,15H,2,9-14,16H2,1H3,(H,23,28)
InChIKeyYDEJQNIFGIMMDP-UHFFFAOYSA-N
XLogP2.28
TPSA96.87 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.49
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethyl]furan-2-carboxamide?
The IUPAC name of N-[2-[4-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethyl]furan-2-carboxamide (CID 30870859) is N-[2-[4-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethyl]furan-2-carboxamide.
What is the SMILES notation for N-[2-[4-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethyl]furan-2-carboxamide?
The canonical SMILES for N-[2-[4-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethyl]furan-2-carboxamide is CCOc1ccc(-c2noc(CN3CCN(CCNC(=O)c4ccco4)CC3)n2)cc1.
What is the InChIKey of N-[2-[4-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethyl]furan-2-carboxamide?
The InChIKey is YDEJQNIFGIMMDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O4/c1-2-29-18-7-5-17(6-8-18)21-24-20(31-25-21)16-27-13-11-26(12-14-27)10-9-23-22(28)19-4-3-15-30-19/h3-8,15H,2,9-14,16H2,1H3,(H,23,28).
What are the key properties of N-[2-[4-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethyl]furan-2-carboxamide?
N-[2-[4-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethyl]furan-2-carboxamide has a molecular weight of 425.49 g/mol, XLogP of 2.28, 9 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 30870859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).