3-amino-6-(1,3-oxazol-5-ylmethoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide

C15H14F6N4O4 — CID 89448319

IUPAC3-amino-6-(1,3-oxazol-5-ylmethoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(O)(CNC(=O)c1nc(OCc2cnco2)c(C(F)(F)F)cc1N)C(F)(F)F
InChIInChI=1S/C15H14F6N4O4/c1-13(27,15(19,20)21)5-24-11(26)10-9(22)2-8(14(16,17)18)12(25-10)28-4-7-3-23-6-29-7/h2-3,6,27H,4-5,22H2,1H3,(H,24,26)
InChIKeyKGLXZOJOCPGUQY-UHFFFAOYSA-N
MW428.29 g/mol
LogP2.29
Rot. Bonds6

About 3-amino-6-(1,3-oxazol-5-ylmethoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide

3-amino-6-(1,3-oxazol-5-ylmethoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 89448319) has the molecular formula C15H14F6N4O4 and a molecular weight of 428.29 g/mol. Its IUPAC name is 3-amino-6-(1,3-oxazol-5-ylmethoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound Name3-amino-6-(1,3-oxazol-5-ylmethoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID89448319
Molecular FormulaC15H14F6N4O4
Molecular Weight428.29 g/mol
Exact Mass428.09
IUPAC Name3-amino-6-(1,3-oxazol-5-ylmethoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC(O)(CNC(=O)c1nc(OCc2cnco2)c(C(F)(F)F)cc1N)C(F)(F)F
InChIInChI=1S/C15H14F6N4O4/c1-13(27,15(19,20)21)5-24-11(26)10-9(22)2-8(14(16,17)18)12(25-10)28-4-7-3-23-6-29-7/h2-3,6,27H,4-5,22H2,1H3,(H,24,26)
InChIKeyKGLXZOJOCPGUQY-UHFFFAOYSA-N
XLogP2.29
TPSA123.50 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.29
LogP ≤ 52.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-amino-6-(1,3-oxazol-5-ylmethoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of 3-amino-6-(1,3-oxazol-5-ylmethoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide (CID 89448319) is 3-amino-6-(1,3-oxazol-5-ylmethoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for 3-amino-6-(1,3-oxazol-5-ylmethoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for 3-amino-6-(1,3-oxazol-5-ylmethoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide is CC(O)(CNC(=O)c1nc(OCc2cnco2)c(C(F)(F)F)cc1N)C(F)(F)F.
What is the InChIKey of 3-amino-6-(1,3-oxazol-5-ylmethoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is KGLXZOJOCPGUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F6N4O4/c1-13(27,15(19,20)21)5-24-11(26)10-9(22)2-8(14(16,17)18)12(25-10)28-4-7-3-23-6-29-7/h2-3,6,27H,4-5,22H2,1H3,(H,24,26).
What are the key properties of 3-amino-6-(1,3-oxazol-5-ylmethoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide?
3-amino-6-(1,3-oxazol-5-ylmethoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 428.29 g/mol, XLogP of 2.29, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-6-(1,3-oxazol-5-ylmethoxy)-N-(3,3,3-trifluoro-2-hydroxy-2-methylpropyl)-5-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 89448319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).