2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(1,3-oxazol-2-yl)phenol

C22H28N6O2 — CID 139536504

IUPAC2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(1,3-oxazol-2-yl)phenol
SMILESCN(c1ncc(-c2ccc(-c3ncco3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C22H28N6O2/c1-21(2)11-15(12-22(3,4)27-21)28(5)20-24-13-17(25-26-20)16-7-6-14(10-18(16)29)19-23-8-9-30-19/h6-10,13,15,27,29H,11-12H2,1-5H3
InChIKeyDAFHXYJYWZLBLR-UHFFFAOYSA-N
MW408.51 g/mol
LogP3.64
Rot. Bonds4

About 2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(1,3-oxazol-2-yl)phenol

2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(1,3-oxazol-2-yl)phenol (PubChem CID 139536504) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is 2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(1,3-oxazol-2-yl)phenol.

Molecular Properties

Compound Name2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(1,3-oxazol-2-yl)phenol
PubChem CID139536504
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC Name2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(1,3-oxazol-2-yl)phenol
SMILESCN(c1ncc(-c2ccc(-c3ncco3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1
InChIInChI=1S/C22H28N6O2/c1-21(2)11-15(12-22(3,4)27-21)28(5)20-24-13-17(25-26-20)16-7-6-14(10-18(16)29)19-23-8-9-30-19/h6-10,13,15,27,29H,11-12H2,1-5H3
InChIKeyDAFHXYJYWZLBLR-UHFFFAOYSA-N
XLogP3.64
TPSA100.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(1,3-oxazol-2-yl)phenol?
The IUPAC name of 2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(1,3-oxazol-2-yl)phenol (CID 139536504) is 2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(1,3-oxazol-2-yl)phenol.
What is the SMILES notation for 2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(1,3-oxazol-2-yl)phenol?
The canonical SMILES for 2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(1,3-oxazol-2-yl)phenol is CN(c1ncc(-c2ccc(-c3ncco3)cc2O)nn1)C1CC(C)(C)NC(C)(C)C1.
What is the InChIKey of 2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(1,3-oxazol-2-yl)phenol?
The InChIKey is DAFHXYJYWZLBLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-21(2)11-15(12-22(3,4)27-21)28(5)20-24-13-17(25-26-20)16-7-6-14(10-18(16)29)19-23-8-9-30-19/h6-10,13,15,27,29H,11-12H2,1-5H3.
What are the key properties of 2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(1,3-oxazol-2-yl)phenol?
2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(1,3-oxazol-2-yl)phenol has a molecular weight of 408.51 g/mol, XLogP of 3.64, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[methyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]-5-(1,3-oxazol-2-yl)phenol is sourced from PubChem (CID 139536504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).