5-methyl-3-[[4-[(2-pyridin-4-yl-3-pyridinyl)oxy]piperidin-1-yl]methyl]-1,2-oxazole

C20H22N4O2 — CID 118675997

IUPAC5-methyl-3-[[4-[(2-pyridin-4-yl-3-pyridinyl)oxy]piperidin-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(CN2CCC(Oc3cccnc3-c3ccncc3)CC2)no1
InChIInChI=1S/C20H22N4O2/c1-15-13-17(23-26-15)14-24-11-6-18(7-12-24)25-19-3-2-8-22-20(19)16-4-9-21-10-5-16/h2-5,8-10,13,18H,6-7,11-12,14H2,1H3
InChIKeyCSGCJZASYPRBOE-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.48
Rot. Bonds5

About 5-methyl-3-[[4-[(2-pyridin-4-yl-3-pyridinyl)oxy]piperidin-1-yl]methyl]-1,2-oxazole

5-methyl-3-[[4-[(2-pyridin-4-yl-3-pyridinyl)oxy]piperidin-1-yl]methyl]-1,2-oxazole (PubChem CID 118675997) has the molecular formula C20H22N4O2 and a molecular weight of 350.42 g/mol. Its IUPAC name is 5-methyl-3-[[4-[(2-pyridin-4-yl-3-pyridinyl)oxy]piperidin-1-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[[4-[(2-pyridin-4-yl-3-pyridinyl)oxy]piperidin-1-yl]methyl]-1,2-oxazole
PubChem CID118675997
Molecular FormulaC20H22N4O2
Molecular Weight350.42 g/mol
Exact Mass350.17
IUPAC Name5-methyl-3-[[4-[(2-pyridin-4-yl-3-pyridinyl)oxy]piperidin-1-yl]methyl]-1,2-oxazole
SMILESCc1cc(CN2CCC(Oc3cccnc3-c3ccncc3)CC2)no1
InChIInChI=1S/C20H22N4O2/c1-15-13-17(23-26-15)14-24-11-6-18(7-12-24)25-19-3-2-8-22-20(19)16-4-9-21-10-5-16/h2-5,8-10,13,18H,6-7,11-12,14H2,1H3
InChIKeyCSGCJZASYPRBOE-UHFFFAOYSA-N
XLogP3.48
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[[4-[(2-pyridin-4-yl-3-pyridinyl)oxy]piperidin-1-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[[4-[(2-pyridin-4-yl-3-pyridinyl)oxy]piperidin-1-yl]methyl]-1,2-oxazole (CID 118675997) is 5-methyl-3-[[4-[(2-pyridin-4-yl-3-pyridinyl)oxy]piperidin-1-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[[4-[(2-pyridin-4-yl-3-pyridinyl)oxy]piperidin-1-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[[4-[(2-pyridin-4-yl-3-pyridinyl)oxy]piperidin-1-yl]methyl]-1,2-oxazole is Cc1cc(CN2CCC(Oc3cccnc3-c3ccncc3)CC2)no1.
What is the InChIKey of 5-methyl-3-[[4-[(2-pyridin-4-yl-3-pyridinyl)oxy]piperidin-1-yl]methyl]-1,2-oxazole?
The InChIKey is CSGCJZASYPRBOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2/c1-15-13-17(23-26-15)14-24-11-6-18(7-12-24)25-19-3-2-8-22-20(19)16-4-9-21-10-5-16/h2-5,8-10,13,18H,6-7,11-12,14H2,1H3.
What are the key properties of 5-methyl-3-[[4-[(2-pyridin-4-yl-3-pyridinyl)oxy]piperidin-1-yl]methyl]-1,2-oxazole?
5-methyl-3-[[4-[(2-pyridin-4-yl-3-pyridinyl)oxy]piperidin-1-yl]methyl]-1,2-oxazole has a molecular weight of 350.42 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[[4-[(2-pyridin-4-yl-3-pyridinyl)oxy]piperidin-1-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 118675997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).