2-(furan-3-yl)-5-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole

C22H21N3O2 — CID 90543355

IUPAC2-(furan-3-yl)-5-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole
SMILESc1ccc2c(CN3CCC(c4nnc(-c5ccoc5)o4)CC3)cccc2c1
InChIInChI=1S/C22H21N3O2/c1-2-7-20-16(4-1)5-3-6-18(20)14-25-11-8-17(9-12-25)21-23-24-22(27-21)19-10-13-26-15-19/h1-7,10,13,15,17H,8-9,11-12,14H2
InChIKeyQDQBRZQKADNSQT-UHFFFAOYSA-N
MW359.43 g/mol
LogP4.86
Rot. Bonds4

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

2-(furan-3-yl)-5-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole (PubChem CID 90543355) has the molecular formula C22H21N3O2 and a molecular weight of 359.43 g/mol. Its IUPAC name is 2-(furan-3-yl)-5-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(furan-3-yl)-5-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole
PubChem CID90543355
Molecular FormulaC22H21N3O2
Molecular Weight359.43 g/mol
Exact Mass359.16
IUPAC Name2-(furan-3-yl)-5-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole
SMILESc1ccc2c(CN3CCC(c4nnc(-c5ccoc5)o4)CC3)cccc2c1
InChIInChI=1S/C22H21N3O2/c1-2-7-20-16(4-1)5-3-6-18(20)14-25-11-8-17(9-12-25)21-23-24-22(27-21)19-10-13-26-15-19/h1-7,10,13,15,17H,8-9,11-12,14H2
InChIKeyQDQBRZQKADNSQT-UHFFFAOYSA-N
XLogP4.86
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(furan-3-yl)-5-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-yl)-5-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(furan-3-yl)-5-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole (CID 90543355) is 2-(furan-3-yl)-5-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(furan-3-yl)-5-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(furan-3-yl)-5-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole is c1ccc2c(CN3CCC(c4nnc(-c5ccoc5)o4)CC3)cccc2c1.
What is the InChIKey of 2-(furan-3-yl)-5-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole?
The InChIKey is QDQBRZQKADNSQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O2/c1-2-7-20-16(4-1)5-3-6-18(20)14-25-11-8-17(9-12-25)21-23-24-22(27-21)19-10-13-26-15-19/h1-7,10,13,15,17H,8-9,11-12,14H2.
What are the key properties of 2-(furan-3-yl)-5-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole?
2-(furan-3-yl)-5-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole has a molecular weight of 359.43 g/mol, XLogP of 4.86, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-yl)-5-[1-(naphthalen-1-ylmethyl)piperidin-4-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 90543355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).