5-[4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]-1,3-oxazole

C23H31N3O2 — CID 69354924

IUPAC5-[4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]-1,3-oxazole
SMILESc1ncc(-c2ccc(N3CCC(OC4CCN(C5CCC5)CC4)CC3)cc2)o1
InChIInChI=1S/C23H31N3O2/c1-2-19(3-1)25-12-8-21(9-13-25)28-22-10-14-26(15-11-22)20-6-4-18(5-7-20)23-16-24-17-27-23/h4-7,16-17,19,21-22H,1-3,8-15H2
InChIKeyCPDLJNPQUZXFNW-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.34
Rot. Bonds5

About 5-[4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]-1,3-oxazole

5-[4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]-1,3-oxazole (PubChem CID 69354924) has the molecular formula C23H31N3O2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 5-[4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]-1,3-oxazole.

Molecular Properties

Compound Name5-[4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]-1,3-oxazole
PubChem CID69354924
Molecular FormulaC23H31N3O2
Molecular Weight381.52 g/mol
Exact Mass381.24
IUPAC Name5-[4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]-1,3-oxazole
SMILESc1ncc(-c2ccc(N3CCC(OC4CCN(C5CCC5)CC4)CC3)cc2)o1
InChIInChI=1S/C23H31N3O2/c1-2-19(3-1)25-12-8-21(9-13-25)28-22-10-14-26(15-11-22)20-6-4-18(5-7-20)23-16-24-17-27-23/h4-7,16-17,19,21-22H,1-3,8-15H2
InChIKeyCPDLJNPQUZXFNW-UHFFFAOYSA-N
XLogP4.34
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]-1,3-oxazole?
The IUPAC name of 5-[4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]-1,3-oxazole (CID 69354924) is 5-[4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]-1,3-oxazole.
What is the SMILES notation for 5-[4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]-1,3-oxazole?
The canonical SMILES for 5-[4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]-1,3-oxazole is c1ncc(-c2ccc(N3CCC(OC4CCN(C5CCC5)CC4)CC3)cc2)o1.
What is the InChIKey of 5-[4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]-1,3-oxazole?
The InChIKey is CPDLJNPQUZXFNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H31N3O2/c1-2-19(3-1)25-12-8-21(9-13-25)28-22-10-14-26(15-11-22)20-6-4-18(5-7-20)23-16-24-17-27-23/h4-7,16-17,19,21-22H,1-3,8-15H2.
What are the key properties of 5-[4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]-1,3-oxazole?
5-[4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]-1,3-oxazole has a molecular weight of 381.52 g/mol, XLogP of 4.34, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[4-(1-cyclobutylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]-1,3-oxazole is sourced from PubChem (CID 69354924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).