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

C18H26N4O3 — CID 95311723

IUPAC5-[(1R)-1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
SMILESCOc1ccc(OCCN2CCN([C@H](C)c3nc(C)no3)CC2)cc1
InChIInChI=1S/C18H26N4O3/c1-14(18-19-15(2)20-25-18)22-10-8-21(9-11-22)12-13-24-17-6-4-16(23-3)5-7-17/h4-7,14H,8-13H2,1-3H3/t14-/m1/s1
InChIKeyGNHJMARCGRRXJH-CQSZACIVSA-N
MW346.43 g/mol
LogP2.14
Rot. Bonds7

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

5-[(1R)-1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole (PubChem CID 95311723) has the molecular formula C18H26N4O3 and a molecular weight of 346.43 g/mol. Its IUPAC name is 5-[(1R)-1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(1R)-1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
PubChem CID95311723
Molecular FormulaC18H26N4O3
Molecular Weight346.43 g/mol
Exact Mass346.20
IUPAC Name5-[(1R)-1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
SMILESCOc1ccc(OCCN2CCN([C@H](C)c3nc(C)no3)CC2)cc1
InChIInChI=1S/C18H26N4O3/c1-14(18-19-15(2)20-25-18)22-10-8-21(9-11-22)12-13-24-17-6-4-16(23-3)5-7-17/h4-7,14H,8-13H2,1-3H3/t14-/m1/s1
InChIKeyGNHJMARCGRRXJH-CQSZACIVSA-N
XLogP2.14
TPSA63.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Related Compounds

3-cyclopropyl-5-[1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 47053117
3-[2-[4-[(1R)-1-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]ethoxy]benzonitrile
CID 95311377
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-methyl-5-[(1R)-1-[4-(2-pyridin-2-ylethyl)piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95288523
5-[(1R)-1-[4-[(2-methoxy-5-methylphenyl)methyl]piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 95159071
3-methyl-5-[(1S)-1-(4-propan-2-ylpiperazin-1-yl)ethyl]-1,2,4-oxadiazole
CID 95275038
5-[(1S)-1-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-3-propan-2-yl-1,2,4-oxadiazole
CID 94797739
5-[1-[4-[(5-bromothiophen-2-yl)methyl]piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole
CID 55574041
3-methyl-5-[(1S)-1-[4-[(2-propan-2-yloxyphenyl)methyl]piperazin-1-yl]ethyl]-1,2,4-oxadiazole
CID 95277612
5-[(1S)-1-[4-(3-methoxypropyl)piperazin-1-yl]ethyl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 51952933
1-[2-(4-methoxyphenoxy)ethyl]azepane
CID 888209

Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(1R)-1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole (CID 95311723) is 5-[(1R)-1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(1R)-1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(1R)-1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole is COc1ccc(OCCN2CCN([C@H](C)c3nc(C)no3)CC2)cc1.
What is the InChIKey of 5-[(1R)-1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is GNHJMARCGRRXJH-CQSZACIVSA-N. The full InChI is InChI=1S/C18H26N4O3/c1-14(18-19-15(2)20-25-18)22-10-8-21(9-11-22)12-13-24-17-6-4-16(23-3)5-7-17/h4-7,14H,8-13H2,1-3H3/t14-/m1/s1.
What are the key properties of 5-[(1R)-1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole?
5-[(1R)-1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 346.43 g/mol, XLogP of 2.14, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-1-[4-[2-(4-methoxyphenoxy)ethyl]piperazin-1-yl]ethyl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 95311723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).