(3,5-dimethoxyphenyl)-[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone

C20H22N4O5 — CID 86928388

IUPAC(3,5-dimethoxyphenyl)-[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCN(Cc3nc(-c4ccco4)no3)CC2)c1
InChIInChI=1S/C20H22N4O5/c1-26-15-10-14(11-16(12-15)27-2)20(25)24-7-5-23(6-8-24)13-18-21-19(22-29-18)17-4-3-9-28-17/h3-4,9-12H,5-8,13H2,1-2H3
InChIKeyJDMWKHXGYVWDGS-UHFFFAOYSA-N
MW398.42 g/mol
LogP2.30
Rot. Bonds6

About (3,5-dimethoxyphenyl)-[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone

(3,5-dimethoxyphenyl)-[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone (PubChem CID 86928388) has the molecular formula C20H22N4O5 and a molecular weight of 398.42 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl)-[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl)-[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
PubChem CID86928388
Molecular FormulaC20H22N4O5
Molecular Weight398.42 g/mol
Exact Mass398.16
IUPAC Name(3,5-dimethoxyphenyl)-[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone
SMILESCOc1cc(OC)cc(C(=O)N2CCN(Cc3nc(-c4ccco4)no3)CC2)c1
InChIInChI=1S/C20H22N4O5/c1-26-15-10-14(11-16(12-15)27-2)20(25)24-7-5-23(6-8-24)13-18-21-19(22-29-18)17-4-3-9-28-17/h3-4,9-12H,5-8,13H2,1-2H3
InChIKeyJDMWKHXGYVWDGS-UHFFFAOYSA-N
XLogP2.30
TPSA94.07 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.42
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-(furan-2-yl)-5-[[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 37202045
[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(4-phenylphenyl)methanone
CID 26113719
3-(furan-2-yl)-5-(pyrrolidin-1-ylmethyl)-1,2,4-oxadiazole
CID 51076543
4-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazine-1-carbonyl]benzonitrile
CID 134051793
(4-methoxyphenyl)-[4-[(3-pyridin-3-yl-1,2,4-oxadiazol-5-yl)methyl]piperazin-1-yl]methanone
CID 78848111
[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]-piperidin-1-ylmethanone
CID 134019590
[4-[(2-chlorophenyl)methyl]piperazin-1-yl]-(3,5-dimethoxyphenyl)methanone
CID 997989
(3,5-dimethoxyphenyl)-[4-[(2,5-dimethylphenyl)methyl]piperazin-1-yl]methanone
CID 110399171
[4-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-(3,5-dimethoxy-4-methylphenyl)methanone
CID 37083852
methyl 4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]morpholine-2-carboxylate
CID 78925869
1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-1,4-diazepan-1-yl]ethanone
CID 17481191
N-[[1-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-yl]methyl]ethanamine
CID 80546709

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl)-[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone?
The IUPAC name of (3,5-dimethoxyphenyl)-[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone (CID 86928388) is (3,5-dimethoxyphenyl)-[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethoxyphenyl)-[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone?
The canonical SMILES for (3,5-dimethoxyphenyl)-[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone is COc1cc(OC)cc(C(=O)N2CCN(Cc3nc(-c4ccco4)no3)CC2)c1.
What is the InChIKey of (3,5-dimethoxyphenyl)-[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone?
The InChIKey is JDMWKHXGYVWDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O5/c1-26-15-10-14(11-16(12-15)27-2)20(25)24-7-5-23(6-8-24)13-18-21-19(22-29-18)17-4-3-9-28-17/h3-4,9-12H,5-8,13H2,1-2H3.
What are the key properties of (3,5-dimethoxyphenyl)-[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone?
(3,5-dimethoxyphenyl)-[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone has a molecular weight of 398.42 g/mol, XLogP of 2.30, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl)-[4-[[3-(furan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 86928388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).