3,5-dimethyl-4-[2-[1-(oxan-4-yl)piperidin-4-yl]-4-pyridinyl]-1,2-oxazole

C20H27N3O2 — CID 110129314

IUPAC3,5-dimethyl-4-[2-[1-(oxan-4-yl)piperidin-4-yl]-4-pyridinyl]-1,2-oxazole
SMILESCc1noc(C)c1-c1ccnc(C2CCN(C3CCOCC3)CC2)c1
InChIInChI=1S/C20H27N3O2/c1-14-20(15(2)25-22-14)17-3-8-21-19(13-17)16-4-9-23(10-5-16)18-6-11-24-12-7-18/h3,8,13,16,18H,4-7,9-12H2,1-2H3
InChIKeyREGHOAOGMNEJPK-UHFFFAOYSA-N
MW341.46 g/mol
LogP3.71
Rot. Bonds3

About 3,5-dimethyl-4-[2-[1-(oxan-4-yl)piperidin-4-yl]-4-pyridinyl]-1,2-oxazole

3,5-dimethyl-4-[2-[1-(oxan-4-yl)piperidin-4-yl]-4-pyridinyl]-1,2-oxazole (PubChem CID 110129314) has the molecular formula C20H27N3O2 and a molecular weight of 341.46 g/mol. Its IUPAC name is 3,5-dimethyl-4-[2-[1-(oxan-4-yl)piperidin-4-yl]-4-pyridinyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[2-[1-(oxan-4-yl)piperidin-4-yl]-4-pyridinyl]-1,2-oxazole
PubChem CID110129314
Molecular FormulaC20H27N3O2
Molecular Weight341.46 g/mol
Exact Mass341.21
IUPAC Name3,5-dimethyl-4-[2-[1-(oxan-4-yl)piperidin-4-yl]-4-pyridinyl]-1,2-oxazole
SMILESCc1noc(C)c1-c1ccnc(C2CCN(C3CCOCC3)CC2)c1
InChIInChI=1S/C20H27N3O2/c1-14-20(15(2)25-22-14)17-3-8-21-19(13-17)16-4-9-23(10-5-16)18-6-11-24-12-7-18/h3,8,13,16,18H,4-7,9-12H2,1-2H3
InChIKeyREGHOAOGMNEJPK-UHFFFAOYSA-N
XLogP3.71
TPSA51.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.46
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[2-[1-(oxan-4-yl)piperidin-4-yl]-4-pyridinyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[2-[1-(oxan-4-yl)piperidin-4-yl]-4-pyridinyl]-1,2-oxazole (CID 110129314) is 3,5-dimethyl-4-[2-[1-(oxan-4-yl)piperidin-4-yl]-4-pyridinyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[2-[1-(oxan-4-yl)piperidin-4-yl]-4-pyridinyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[2-[1-(oxan-4-yl)piperidin-4-yl]-4-pyridinyl]-1,2-oxazole is Cc1noc(C)c1-c1ccnc(C2CCN(C3CCOCC3)CC2)c1.
What is the InChIKey of 3,5-dimethyl-4-[2-[1-(oxan-4-yl)piperidin-4-yl]-4-pyridinyl]-1,2-oxazole?
The InChIKey is REGHOAOGMNEJPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3O2/c1-14-20(15(2)25-22-14)17-3-8-21-19(13-17)16-4-9-23(10-5-16)18-6-11-24-12-7-18/h3,8,13,16,18H,4-7,9-12H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-[2-[1-(oxan-4-yl)piperidin-4-yl]-4-pyridinyl]-1,2-oxazole?
3,5-dimethyl-4-[2-[1-(oxan-4-yl)piperidin-4-yl]-4-pyridinyl]-1,2-oxazole has a molecular weight of 341.46 g/mol, XLogP of 3.71, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[2-[1-(oxan-4-yl)piperidin-4-yl]-4-pyridinyl]-1,2-oxazole is sourced from PubChem (CID 110129314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).