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

C21H25N3O2S — CID 92559574

IUPAC2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole
SMILESCOc1ccc(CCN2CCC(c3nnc(-c4ccc(C)s4)o3)CC2)cc1
InChIInChI=1S/C21H25N3O2S/c1-15-3-8-19(27-15)21-23-22-20(26-21)17-10-13-24(14-11-17)12-9-16-4-6-18(25-2)7-5-16/h3-8,17H,9-14H2,1-2H3
InChIKeyLAAAIXNASWCPFC-UHFFFAOYSA-N
MW383.52 g/mol
LogP4.54
Rot. Bonds6

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

2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole (PubChem CID 92559574) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is 2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole
PubChem CID92559574
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC Name2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole
SMILESCOc1ccc(CCN2CCC(c3nnc(-c4ccc(C)s4)o3)CC2)cc1
InChIInChI=1S/C21H25N3O2S/c1-15-3-8-19(27-15)21-23-22-20(26-21)17-10-13-24(14-11-17)12-9-16-4-6-18(25-2)7-5-16/h3-8,17H,9-14H2,1-2H3
InChIKeyLAAAIXNASWCPFC-UHFFFAOYSA-N
XLogP4.54
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole (CID 92559574) is 2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole is COc1ccc(CCN2CCC(c3nnc(-c4ccc(C)s4)o3)CC2)cc1.
What is the InChIKey of 2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole?
The InChIKey is LAAAIXNASWCPFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-15-3-8-19(27-15)21-23-22-20(26-21)17-10-13-24(14-11-17)12-9-16-4-6-18(25-2)7-5-16/h3-8,17H,9-14H2,1-2H3.
What are the key properties of 2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole?
2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole has a molecular weight of 383.52 g/mol, XLogP of 4.54, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-5-(5-methylthiophen-2-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 92559574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).