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

C22H28N6O2 — CID 139536618

IUPAC5-(2-methyl-1,3-oxazol-5-yl)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
SMILESCc1ncc(-c2ccc(-c3cnc(NC4CC(C)(C)NC(C)(C)C4)nn3)c(O)c2)o1
InChIInChI=1S/C22H28N6O2/c1-13-23-12-19(30-13)14-6-7-16(18(29)8-14)17-11-24-20(27-26-17)25-15-9-21(2,3)28-22(4,5)10-15/h6-8,11-12,15,28-29H,9-10H2,1-5H3,(H,24,25,27)
InChIKeyOUGRYZLTFNOXEE-UHFFFAOYSA-N
MW408.51 g/mol
LogP3.93
Rot. Bonds4

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

5-(2-methyl-1,3-oxazol-5-yl)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol (PubChem CID 139536618) has the molecular formula C22H28N6O2 and a molecular weight of 408.51 g/mol. Its IUPAC name is 5-(2-methyl-1,3-oxazol-5-yl)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol.

Molecular Properties

Compound Name5-(2-methyl-1,3-oxazol-5-yl)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
PubChem CID139536618
Molecular FormulaC22H28N6O2
Molecular Weight408.51 g/mol
Exact Mass408.23
IUPAC Name5-(2-methyl-1,3-oxazol-5-yl)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol
SMILESCc1ncc(-c2ccc(-c3cnc(NC4CC(C)(C)NC(C)(C)C4)nn3)c(O)c2)o1
InChIInChI=1S/C22H28N6O2/c1-13-23-12-19(30-13)14-6-7-16(18(29)8-14)17-11-24-20(27-26-17)25-15-9-21(2,3)28-22(4,5)10-15/h6-8,11-12,15,28-29H,9-10H2,1-5H3,(H,24,25,27)
InChIKeyOUGRYZLTFNOXEE-UHFFFAOYSA-N
XLogP3.93
TPSA108.99 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.51
LogP ≤ 53.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

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
5-(1,3-Oxazol-2-yl)-2-[3-(2,2,6,6-tetramethylpiperidin-4-yl)triazolo[4,5-c]pyridazin-6-yl]phenol
CID 156699331
US9737542, Example 7
CID 118009316
2-[6-[2-Fluoroethyl-(2,2,6,6-tetramethylpiperidin-4-yl)amino]pyridazin-3-yl]-5-(5-methyl-1,3-oxazol-2-yl)phenol
CID 137464869
2-[3-(7-Methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]-5-(1,3-oxazol-2-yl)phenol;2,2,2-trifluoroacetic acid
CID 139536417
[2-[3-(7-Methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]-5-(1,3-oxazol-2-yl)phenyl] 2,2,2-trifluoroacetate
CID 139536419
2-[3-[[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1,3-oxazol-2-yl)phenol
CID 139536699
2-[3-[[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1,3-oxazol-2-yl)phenol;2,2,2-trifluoroacetic acid
CID 139537088
[2-[3-[[(3S,4S)-3-fluoro-2,2,6,6-tetramethylpiperidin-4-yl]amino]-1,2,4-triazin-6-yl]-5-(1,3-oxazol-2-yl)phenyl] 2,2,2-trifluoroacetate
CID 139537091
2-[3-(7-Methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]-5-(2-methyl-1,3-oxazol-5-yl)phenol;2,2,2-trifluoroacetic acid
CID 139537141
[2-[3-(7-Methyl-2,7-diazaspiro[3.5]nonan-2-yl)-1,2,4-triazin-6-yl]-5-(2-methyl-1,3-oxazol-5-yl)phenyl] 2,2,2-trifluoroacetate
CID 139537142
2-[6-(9-Azabicyclo[3.3.1]nonan-3-ylmethylamino)pyridazin-3-yl]-4-fluoro-5-(2-methyl-1,3-oxazol-5-yl)phenol
CID 153532847

Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-1,3-oxazol-5-yl)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol?
The IUPAC name of 5-(2-methyl-1,3-oxazol-5-yl)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol (CID 139536618) is 5-(2-methyl-1,3-oxazol-5-yl)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol.
What is the SMILES notation for 5-(2-methyl-1,3-oxazol-5-yl)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol?
The canonical SMILES for 5-(2-methyl-1,3-oxazol-5-yl)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol is Cc1ncc(-c2ccc(-c3cnc(NC4CC(C)(C)NC(C)(C)C4)nn3)c(O)c2)o1.
What is the InChIKey of 5-(2-methyl-1,3-oxazol-5-yl)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol?
The InChIKey is OUGRYZLTFNOXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N6O2/c1-13-23-12-19(30-13)14-6-7-16(18(29)8-14)17-11-24-20(27-26-17)25-15-9-21(2,3)28-22(4,5)10-15/h6-8,11-12,15,28-29H,9-10H2,1-5H3,(H,24,25,27).
What are the key properties of 5-(2-methyl-1,3-oxazol-5-yl)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol?
5-(2-methyl-1,3-oxazol-5-yl)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol has a molecular weight of 408.51 g/mol, XLogP of 3.93, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-1,3-oxazol-5-yl)-2-[3-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1,2,4-triazin-6-yl]phenol is sourced from PubChem (CID 139536618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).