5-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]-1,3-oxazole

C22H31N3O2 — CID 69354271

IUPAC5-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]-1,3-oxazole
SMILESCC(C)N1CCC(OC2CCN(c3ccc(-c4cnco4)cc3)CC2)CC1
InChIInChI=1S/C22H31N3O2/c1-17(2)24-11-7-20(8-12-24)27-21-9-13-25(14-10-21)19-5-3-18(4-6-19)22-15-23-16-26-22/h3-6,15-17,20-21H,7-14H2,1-2H3
InChIKeyDIJBHZWEWUWOAM-UHFFFAOYSA-N
MW369.51 g/mol
LogP4.20
Rot. Bonds5

About 5-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]-1,3-oxazole

5-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]-1,3-oxazole (PubChem CID 69354271) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 5-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]-1,3-oxazole.

Molecular Properties

Compound Name5-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]-1,3-oxazole
PubChem CID69354271
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name5-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]-1,3-oxazole
SMILESCC(C)N1CCC(OC2CCN(c3ccc(-c4cnco4)cc3)CC2)CC1
InChIInChI=1S/C22H31N3O2/c1-17(2)24-11-7-20(8-12-24)27-21-9-13-25(14-10-21)19-5-3-18(4-6-19)22-15-23-16-26-22/h3-6,15-17,20-21H,7-14H2,1-2H3
InChIKeyDIJBHZWEWUWOAM-UHFFFAOYSA-N
XLogP4.20
TPSA41.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.20
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-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]-1,3-oxazole?
The IUPAC name of 5-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]-1,3-oxazole (CID 69354271) is 5-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]-1,3-oxazole.
What is the SMILES notation for 5-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]-1,3-oxazole?
The canonical SMILES for 5-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]-1,3-oxazole is CC(C)N1CCC(OC2CCN(c3ccc(-c4cnco4)cc3)CC2)CC1.
What is the InChIKey of 5-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]-1,3-oxazole?
The InChIKey is DIJBHZWEWUWOAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-17(2)24-11-7-20(8-12-24)27-21-9-13-25(14-10-21)19-5-3-18(4-6-19)22-15-23-16-26-22/h3-6,15-17,20-21H,7-14H2,1-2H3.
What are the key properties of 5-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]-1,3-oxazole?
5-[4-[4-(1-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]-1,3-oxazole has a molecular weight of 369.51 g/mol, XLogP of 4.20, 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-propan-2-ylpiperidin-4-yl)oxypiperidin-1-yl]phenyl]-1,3-oxazole is sourced from PubChem (CID 69354271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).