1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[3-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol

C22H26N4O4 — CID 12961762

IUPAC1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[3-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol
SMILESCOc1ccccc1N1CCN(CC(O)COc2cccc(-c3nnco3)c2)CC1
InChIInChI=1S/C22H26N4O4/c1-28-21-8-3-2-7-20(21)26-11-9-25(10-12-26)14-18(27)15-29-19-6-4-5-17(13-19)22-24-23-16-30-22/h2-8,13,16,18,27H,9-12,14-15H2,1H3
InChIKeyZCSYSHRYBDQISN-UHFFFAOYSA-N
MW410.47 g/mol
LogP2.31
Rot. Bonds8

About 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[3-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol

1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[3-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol (PubChem CID 12961762) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[3-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol.

Molecular Properties

Compound Name1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[3-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol
PubChem CID12961762
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Name1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[3-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol
SMILESCOc1ccccc1N1CCN(CC(O)COc2cccc(-c3nnco3)c2)CC1
InChIInChI=1S/C22H26N4O4/c1-28-21-8-3-2-7-20(21)26-11-9-25(10-12-26)14-18(27)15-29-19-6-4-5-17(13-19)22-24-23-16-30-22/h2-8,13,16,18,27H,9-12,14-15H2,1H3
InChIKeyZCSYSHRYBDQISN-UHFFFAOYSA-N
XLogP2.31
TPSA84.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

(2S)-1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[3-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol
CID 12961770
1-[4-(4-fluorophenyl)piperazin-1-yl]-3-[3-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol
CID 5298503
1-(3,5-dimethoxyphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 110183755
1-(3,5-dimethylphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 5182260
(2S)-1-(2,6-dimethoxyphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 7070608
(2S)-1-[4-[(2S)-2-hydroxy-3-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propyl]piperazin-1-yl]-3-[4-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol
CID 34175570
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(4-methylphenoxy)propan-2-ol;dihydrochloride
CID 16813381
(2S)-1-(4-chloro-3-methylphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 7025257
(2R)-1-(2,3-dihydro-1H-inden-5-yloxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 1324667
2-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-1,3,4-oxadiazole
CID 13062009
1-(4-tert-butylphenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol;dihydrochloride
CID 16807037
(2S)-1-(2-bromophenoxy)-3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-2-ol
CID 34066317

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[3-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol?
The IUPAC name of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[3-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol (CID 12961762) is 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[3-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol.
What is the SMILES notation for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[3-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol?
The canonical SMILES for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[3-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol is COc1ccccc1N1CCN(CC(O)COc2cccc(-c3nnco3)c2)CC1.
What is the InChIKey of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[3-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol?
The InChIKey is ZCSYSHRYBDQISN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-28-21-8-3-2-7-20(21)26-11-9-25(10-12-26)14-18(27)15-29-19-6-4-5-17(13-19)22-24-23-16-30-22/h2-8,13,16,18,27H,9-12,14-15H2,1H3.
What are the key properties of 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[3-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol?
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[3-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol has a molecular weight of 410.47 g/mol, XLogP of 2.31, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[3-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol is sourced from PubChem (CID 12961762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).