2-[4-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1,3-benzoxazole

C24H24N4O2 — CID 154838652

IUPAC2-[4-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1,3-benzoxazole
SMILESc1ccc2c(c1)CCC(c1noc(C3CCN(c4nc5ccccc5o4)CC3)n1)C2
InChIInChI=1S/C24H24N4O2/c1-2-6-18-15-19(10-9-16(18)5-1)22-26-23(30-27-22)17-11-13-28(14-12-17)24-25-20-7-3-4-8-21(20)29-24/h1-8,17,19H,9-15H2
InChIKeyYFZADVPGXNXITD-UHFFFAOYSA-N
MW400.48 g/mol
LogP4.87
Rot. Bonds3

About 2-[4-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1,3-benzoxazole

2-[4-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1,3-benzoxazole (PubChem CID 154838652) has the molecular formula C24H24N4O2 and a molecular weight of 400.48 g/mol. Its IUPAC name is 2-[4-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1,3-benzoxazole.

Molecular Properties

Compound Name2-[4-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1,3-benzoxazole
PubChem CID154838652
Molecular FormulaC24H24N4O2
Molecular Weight400.48 g/mol
Exact Mass400.19
IUPAC Name2-[4-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1,3-benzoxazole
SMILESc1ccc2c(c1)CCC(c1noc(C3CCN(c4nc5ccccc5o4)CC3)n1)C2
InChIInChI=1S/C24H24N4O2/c1-2-6-18-15-19(10-9-16(18)5-1)22-26-23(30-27-22)17-11-13-28(14-12-17)24-25-20-7-3-4-8-21(20)29-24/h1-8,17,19H,9-15H2
InChIKeyYFZADVPGXNXITD-UHFFFAOYSA-N
XLogP4.87
TPSA68.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.48
LogP ≤ 54.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[4-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1,3-benzoxazole 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-[4-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1,3-benzoxazole?
The IUPAC name of 2-[4-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1,3-benzoxazole (CID 154838652) is 2-[4-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1,3-benzoxazole.
What is the SMILES notation for 2-[4-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1,3-benzoxazole?
The canonical SMILES for 2-[4-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1,3-benzoxazole is c1ccc2c(c1)CCC(c1noc(C3CCN(c4nc5ccccc5o4)CC3)n1)C2.
What is the InChIKey of 2-[4-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1,3-benzoxazole?
The InChIKey is YFZADVPGXNXITD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N4O2/c1-2-6-18-15-19(10-9-16(18)5-1)22-26-23(30-27-22)17-11-13-28(14-12-17)24-25-20-7-3-4-8-21(20)29-24/h1-8,17,19H,9-15H2.
What are the key properties of 2-[4-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1,3-benzoxazole?
2-[4-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1,3-benzoxazole has a molecular weight of 400.48 g/mol, XLogP of 4.87, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[3-(1,2,3,4-tetrahydronaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-1,3-benzoxazole is sourced from PubChem (CID 154838652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).