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

C18H22N4O4 — CID 154763907

IUPACcyclopropyl-[4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone
SMILESCOc1cc(OC)cc(-c2noc(N3CCN(C(=O)C4CC4)CC3)n2)c1
InChIInChI=1S/C18H22N4O4/c1-24-14-9-13(10-15(11-14)25-2)16-19-18(26-20-16)22-7-5-21(6-8-22)17(23)12-3-4-12/h9-12H,3-8H2,1-2H3
InChIKeyIKTUMBXKBMFHGM-UHFFFAOYSA-N
MW358.40 g/mol
LogP1.81
Rot. Bonds5

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

cyclopropyl-[4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone (PubChem CID 154763907) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is cyclopropyl-[4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone
PubChem CID154763907
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Namecyclopropyl-[4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone
SMILESCOc1cc(OC)cc(-c2noc(N3CCN(C(=O)C4CC4)CC3)n2)c1
InChIInChI=1S/C18H22N4O4/c1-24-14-9-13(10-15(11-14)25-2)16-19-18(26-20-16)22-7-5-21(6-8-22)17(23)12-3-4-12/h9-12H,3-8H2,1-2H3
InChIKeyIKTUMBXKBMFHGM-UHFFFAOYSA-N
XLogP1.81
TPSA80.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone?
The IUPAC name of cyclopropyl-[4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone (CID 154763907) is cyclopropyl-[4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone is COc1cc(OC)cc(-c2noc(N3CCN(C(=O)C4CC4)CC3)n2)c1.
What is the InChIKey of cyclopropyl-[4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone?
The InChIKey is IKTUMBXKBMFHGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-24-14-9-13(10-15(11-14)25-2)16-19-18(26-20-16)22-7-5-21(6-8-22)17(23)12-3-4-12/h9-12H,3-8H2,1-2H3.
What are the key properties of cyclopropyl-[4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone?
cyclopropyl-[4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone has a molecular weight of 358.40 g/mol, XLogP of 1.81, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[4-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]methanone is sourced from PubChem (CID 154763907), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).