(3,4-dimethoxyphenyl)-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

C21H23N3O5 — CID 3226304

IUPAC(3,4-dimethoxyphenyl)-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCCC(c3nc(-c4ccc(C)o4)no3)C2)cc1OC
InChIInChI=1S/C21H23N3O5/c1-13-6-8-17(28-13)19-22-20(29-23-19)15-5-4-10-24(12-15)21(25)14-7-9-16(26-2)18(11-14)27-3/h6-9,11,15H,4-5,10,12H2,1-3H3
InChIKeyBJHRDJKCBPYUOY-UHFFFAOYSA-N
MW397.43 g/mol
LogP3.68
Rot. Bonds5

About (3,4-dimethoxyphenyl)-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

(3,4-dimethoxyphenyl)-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (PubChem CID 3226304) has the molecular formula C21H23N3O5 and a molecular weight of 397.43 g/mol. Its IUPAC name is (3,4-dimethoxyphenyl)-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,4-dimethoxyphenyl)-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
PubChem CID3226304
Molecular FormulaC21H23N3O5
Molecular Weight397.43 g/mol
Exact Mass397.16
IUPAC Name(3,4-dimethoxyphenyl)-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone
SMILESCOc1ccc(C(=O)N2CCCC(c3nc(-c4ccc(C)o4)no3)C2)cc1OC
InChIInChI=1S/C21H23N3O5/c1-13-6-8-17(28-13)19-22-20(29-23-19)15-5-4-10-24(12-15)21(25)14-7-9-16(26-2)18(11-14)27-3/h6-9,11,15H,4-5,10,12H2,1-3H3
InChIKeyBJHRDJKCBPYUOY-UHFFFAOYSA-N
XLogP3.68
TPSA90.83 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.43
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethoxyphenyl)-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The IUPAC name of (3,4-dimethoxyphenyl)-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone (CID 3226304) is (3,4-dimethoxyphenyl)-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone.
What is the SMILES notation for (3,4-dimethoxyphenyl)-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The canonical SMILES for (3,4-dimethoxyphenyl)-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is COc1ccc(C(=O)N2CCCC(c3nc(-c4ccc(C)o4)no3)C2)cc1OC.
What is the InChIKey of (3,4-dimethoxyphenyl)-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
The InChIKey is BJHRDJKCBPYUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O5/c1-13-6-8-17(28-13)19-22-20(29-23-19)15-5-4-10-24(12-15)21(25)14-7-9-16(26-2)18(11-14)27-3/h6-9,11,15H,4-5,10,12H2,1-3H3.
What are the key properties of (3,4-dimethoxyphenyl)-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone?
(3,4-dimethoxyphenyl)-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone has a molecular weight of 397.43 g/mol, XLogP of 3.68, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethoxyphenyl)-[3-[3-(5-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 3226304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).