2-(4-methoxyphenyl)-5-[1-(4-methoxypiperidin-1-yl)ethyl]-1,3,4-oxadiazole

C17H23N3O3 — CID 56810609

IUPAC2-(4-methoxyphenyl)-5-[1-(4-methoxypiperidin-1-yl)ethyl]-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(C(C)N3CCC(OC)CC3)o2)cc1
InChIInChI=1S/C17H23N3O3/c1-12(20-10-8-15(22-3)9-11-20)16-18-19-17(23-16)13-4-6-14(21-2)7-5-13/h4-7,12,15H,8-11H2,1-3H3
InChIKeySJWDIOGPGLHGBH-UHFFFAOYSA-N
MW317.39 g/mol
LogP2.92
Rot. Bonds5

About 2-(4-methoxyphenyl)-5-[1-(4-methoxypiperidin-1-yl)ethyl]-1,3,4-oxadiazole

2-(4-methoxyphenyl)-5-[1-(4-methoxypiperidin-1-yl)ethyl]-1,3,4-oxadiazole (PubChem CID 56810609) has the molecular formula C17H23N3O3 and a molecular weight of 317.39 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-[1-(4-methoxypiperidin-1-yl)ethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-[1-(4-methoxypiperidin-1-yl)ethyl]-1,3,4-oxadiazole
PubChem CID56810609
Molecular FormulaC17H23N3O3
Molecular Weight317.39 g/mol
Exact Mass317.17
IUPAC Name2-(4-methoxyphenyl)-5-[1-(4-methoxypiperidin-1-yl)ethyl]-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(C(C)N3CCC(OC)CC3)o2)cc1
InChIInChI=1S/C17H23N3O3/c1-12(20-10-8-15(22-3)9-11-20)16-18-19-17(23-16)13-4-6-14(21-2)7-5-13/h4-7,12,15H,8-11H2,1-3H3
InChIKeySJWDIOGPGLHGBH-UHFFFAOYSA-N
XLogP2.92
TPSA60.62 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.39
LogP ≤ 52.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methoxyphenyl)-5-[(1R)-1-[4-[2-(4-methylphenyl)ethyl]piperidin-1-yl]ethyl]-1,3,4-oxadiazole
CID 33024180
(3R)-1-[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]pyrrolidine-3-carboxamide
CID 100840644
2-(4-methoxyphenyl)-5-[(1S)-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 9130894
2-(4-methylphenyl)-5-[1-(4-phenoxypiperidin-1-yl)ethyl]-1,3,4-oxadiazole
CID 47544378
2-[(1R)-1-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 26613341
2-[(1R)-1-[4-[(4-chlorophenyl)methyl]piperazin-1-yl]ethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 8693491
(6S)-4-[(1R)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2,2,6-trimethylmorpholine
CID 124824367
2-[(1R)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]ethyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 8559669
5-(4-methoxyphenyl)-N-(1-propan-2-ylpiperidin-4-yl)-1,3,4-oxadiazol-2-amine
CID 138057806
2-(4-methoxyphenyl)-5-[(1R)-1-[4-[(3-methylphenyl)methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 8597865
2-(3-chlorophenyl)-5-[1-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 51225270
N-[(4-methoxyphenyl)methyl]-N-[(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
CID 8770910

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-[1-(4-methoxypiperidin-1-yl)ethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methoxyphenyl)-5-[1-(4-methoxypiperidin-1-yl)ethyl]-1,3,4-oxadiazole (CID 56810609) is 2-(4-methoxyphenyl)-5-[1-(4-methoxypiperidin-1-yl)ethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-[1-(4-methoxypiperidin-1-yl)ethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methoxyphenyl)-5-[1-(4-methoxypiperidin-1-yl)ethyl]-1,3,4-oxadiazole is COc1ccc(-c2nnc(C(C)N3CCC(OC)CC3)o2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-[1-(4-methoxypiperidin-1-yl)ethyl]-1,3,4-oxadiazole?
The InChIKey is SJWDIOGPGLHGBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3/c1-12(20-10-8-15(22-3)9-11-20)16-18-19-17(23-16)13-4-6-14(21-2)7-5-13/h4-7,12,15H,8-11H2,1-3H3.
What are the key properties of 2-(4-methoxyphenyl)-5-[1-(4-methoxypiperidin-1-yl)ethyl]-1,3,4-oxadiazole?
2-(4-methoxyphenyl)-5-[1-(4-methoxypiperidin-1-yl)ethyl]-1,3,4-oxadiazole has a molecular weight of 317.39 g/mol, XLogP of 2.92, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-[1-(4-methoxypiperidin-1-yl)ethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 56810609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).