3-cyclopropyl-5-[1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole

C20H28N4O3 — CID 47053117

IUPAC3-cyclopropyl-5-[1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCOc1ccc(OCCN2CCN(C(C)c3nc(C4CC4)no3)CC2)cc1
InChIInChI=1S/C20H28N4O3/c1-15(20-21-19(22-27-20)16-3-4-16)24-11-9-23(10-12-24)13-14-26-18-7-5-17(25-2)6-8-18/h5-8,15-16H,3-4,9-14H2,1-2H3
InChIKeyRPEOQGFECDQREK-UHFFFAOYSA-N
MW372.47 g/mol
LogP2.71
Rot. Bonds8

About 3-cyclopropyl-5-[1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole

3-cyclopropyl-5-[1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole (PubChem CID 47053117) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is 3-cyclopropyl-5-[1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-[1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
PubChem CID47053117
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name3-cyclopropyl-5-[1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
SMILESCOc1ccc(OCCN2CCN(C(C)c3nc(C4CC4)no3)CC2)cc1
InChIInChI=1S/C20H28N4O3/c1-15(20-21-19(22-27-20)16-3-4-16)24-11-9-23(10-12-24)13-14-26-18-7-5-17(25-2)6-8-18/h5-8,15-16H,3-4,9-14H2,1-2H3
InChIKeyRPEOQGFECDQREK-UHFFFAOYSA-N
XLogP2.71
TPSA63.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-cyclopropyl-5-[1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[(1R)-1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 95311723
1-[4-[(1S)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 52509003
3-cyclopropyl-5-[(1S)-1-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95309191
3-cyclopropyl-5-[(1R)-1-[4-[2-(2,2,2-trifluoroethoxy)ethyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95309192
5-[(1S)-1-[4-[2-(4-chlorophenoxy)ethyl]piperazin-1-yl]ethyl]-3-propyl-1,2,4-oxadiazole
CID 52909116
1-[2-(4-methoxyphenoxy)ethyl]-4-propan-2-ylpiperazine
CID 47010456
3-[2-[4-[(1R)-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethyl]imidazolidine-2,4-dione
CID 95284690
3-cyclopropyl-5-[(1S)-1-[4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95278685
3-cyclopropyl-5-[(1R)-1-[4-[(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95278660
3-cyclopropyl-5-[(1S)-1-[4-[[(2S)-oxolan-2-yl]methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95156803
3-cyclopropyl-5-[(1S)-1-(4-methylpiperidin-1-yl)ethyl]-1,2,4-oxadiazole
CID 94383023
3-[2-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethoxy]benzonitrile
CID 95311377

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-[1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-[1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole (CID 47053117) is 3-cyclopropyl-5-[1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-[1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-[1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole is COc1ccc(OCCN2CCN(C(C)c3nc(C4CC4)no3)CC2)cc1.
What is the InChIKey of 3-cyclopropyl-5-[1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
The InChIKey is RPEOQGFECDQREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-15(20-21-19(22-27-20)16-3-4-16)24-11-9-23(10-12-24)13-14-26-18-7-5-17(25-2)6-8-18/h5-8,15-16H,3-4,9-14H2,1-2H3.
What are the key properties of 3-cyclopropyl-5-[1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole?
3-cyclopropyl-5-[1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole has a molecular weight of 372.47 g/mol, XLogP of 2.71, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-[1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 47053117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).