2-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-1,3,4-oxadiazole

C22H26N4O3 — CID 13062009

IUPAC2-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-1,3,4-oxadiazole
SMILESCOc1ccccc1N1CCN(CCCOc2ccc(-c3nnco3)cc2)CC1
InChIInChI=1S/C22H26N4O3/c1-27-21-6-3-2-5-20(21)26-14-12-25(13-15-26)11-4-16-28-19-9-7-18(8-10-19)22-24-23-17-29-22/h2-3,5-10,17H,4,11-16H2,1H3
InChIKeyYYPGUGSBQBDEJI-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.34
Rot. Bonds8

About 2-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-1,3,4-oxadiazole

2-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-1,3,4-oxadiazole (PubChem CID 13062009) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-1,3,4-oxadiazole
PubChem CID13062009
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name2-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-1,3,4-oxadiazole
SMILESCOc1ccccc1N1CCN(CCCOc2ccc(-c3nnco3)cc2)CC1
InChIInChI=1S/C22H26N4O3/c1-27-21-6-3-2-5-20(21)26-14-12-25(13-15-26)11-4-16-28-19-9-7-18(8-10-19)22-24-23-17-29-22/h2-3,5-10,17H,4,11-16H2,1H3
InChIKeyYYPGUGSBQBDEJI-UHFFFAOYSA-N
XLogP3.34
TPSA63.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(2-methoxyphenyl)-4-[3-(4-phenylmethoxyphenoxy)propyl]piperazine
CID 139690645
[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methanamine
CID 139749924
1-[4-(2-methoxyphenyl)piperazin-1-yl]-3-[3-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-ol
CID 12961762
1-(2-methoxyphenyl)-4-[4-[4-(tetrazol-2-ylmethyl)phenoxy]butyl]piperazine
CID 44538141
3-[4-(2-methoxyphenyl)piperazin-1-yl]propan-1-amine
CID 10467259
2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]isoindole-1,3-dione
CID 10323108
2-[2-[4-[4-[4-(2-methoxyphenyl)piperazin-1-yl]butoxy]phenyl]ethyl]-1,3,4-thiadiazole
CID 58269751
1-(2-methoxyphenyl)-4-[4-[4-[(5-methyltetrazol-1-yl)methyl]phenoxy]butyl]piperazine
CID 44538353
1-[4-[4-[2-(1,3-dihydrotetrazol-2-yl)ethyl]phenoxy]butyl]-4-(2-methoxyphenyl)piperazine
CID 143901767
N-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-4,5-dihydro-1H-imidazol-2-amine;pentahydrochloride
CID 3070152
N-[[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methyl]pentanamide
CID 139749928
[4-[2-[4-(2-methoxyphenyl)piperazin-1-yl]ethoxy]phenyl]methyl carbamate
CID 44538760

Frequently Asked Questions

What is the IUPAC name of 2-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-1,3,4-oxadiazole (CID 13062009) is 2-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-1,3,4-oxadiazole is COc1ccccc1N1CCN(CCCOc2ccc(-c3nnco3)cc2)CC1.
What is the InChIKey of 2-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-1,3,4-oxadiazole?
The InChIKey is YYPGUGSBQBDEJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-27-21-6-3-2-5-20(21)26-14-12-25(13-15-26)11-4-16-28-19-9-7-18(8-10-19)22-24-23-17-29-22/h2-3,5-10,17H,4,11-16H2,1H3.
What are the key properties of 2-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-1,3,4-oxadiazole?
2-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-1,3,4-oxadiazole has a molecular weight of 394.48 g/mol, XLogP of 3.34, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 13062009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).