2-(3-methylthiophen-2-yl)-5-[1-(quinolin-4-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole

C22H22N4OS — CID 92562910

IUPAC2-(3-methylthiophen-2-yl)-5-[1-(quinolin-4-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole
SMILESCc1ccsc1-c1nnc(C2CCN(Cc3ccnc4ccccc34)CC2)o1
InChIInChI=1S/C22H22N4OS/c1-15-9-13-28-20(15)22-25-24-21(27-22)16-7-11-26(12-8-16)14-17-6-10-23-19-5-3-2-4-18(17)19/h2-6,9-10,13,16H,7-8,11-12,14H2,1H3
InChIKeyYCAVRCXKOQIEDG-UHFFFAOYSA-N
MW390.51 g/mol
LogP5.03
Rot. Bonds4

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

2-(3-methylthiophen-2-yl)-5-[1-(quinolin-4-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole (PubChem CID 92562910) has the molecular formula C22H22N4OS and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-(3-methylthiophen-2-yl)-5-[1-(quinolin-4-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3-methylthiophen-2-yl)-5-[1-(quinolin-4-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole
PubChem CID92562910
Molecular FormulaC22H22N4OS
Molecular Weight390.51 g/mol
Exact Mass390.15
IUPAC Name2-(3-methylthiophen-2-yl)-5-[1-(quinolin-4-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole
SMILESCc1ccsc1-c1nnc(C2CCN(Cc3ccnc4ccccc34)CC2)o1
InChIInChI=1S/C22H22N4OS/c1-15-9-13-28-20(15)22-25-24-21(27-22)16-7-11-26(12-8-16)14-17-6-10-23-19-5-3-2-4-18(17)19/h2-6,9-10,13,16H,7-8,11-12,14H2,1H3
InChIKeyYCAVRCXKOQIEDG-UHFFFAOYSA-N
XLogP5.03
TPSA55.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.51
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(3-methylthiophen-2-yl)-5-[1-(quinolin-4-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(3-methylthiophen-2-yl)-5-[1-(quinolin-4-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole (CID 92562910) is 2-(3-methylthiophen-2-yl)-5-[1-(quinolin-4-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3-methylthiophen-2-yl)-5-[1-(quinolin-4-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(3-methylthiophen-2-yl)-5-[1-(quinolin-4-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole is Cc1ccsc1-c1nnc(C2CCN(Cc3ccnc4ccccc34)CC2)o1.
What is the InChIKey of 2-(3-methylthiophen-2-yl)-5-[1-(quinolin-4-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole?
The InChIKey is YCAVRCXKOQIEDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N4OS/c1-15-9-13-28-20(15)22-25-24-21(27-22)16-7-11-26(12-8-16)14-17-6-10-23-19-5-3-2-4-18(17)19/h2-6,9-10,13,16H,7-8,11-12,14H2,1H3.
What are the key properties of 2-(3-methylthiophen-2-yl)-5-[1-(quinolin-4-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole?
2-(3-methylthiophen-2-yl)-5-[1-(quinolin-4-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole has a molecular weight of 390.51 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-methylthiophen-2-yl)-5-[1-(quinolin-4-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 92562910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).