6-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide

C21H20F3N5O4 — CID 134588508

IUPAC6-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide
SMILESCc1onc(-c2ccc(C(F)(F)F)nc2)c1COc1ccc(C(=O)NC2CCOCC2)nn1
InChIInChI=1S/C21H20F3N5O4/c1-12-15(19(29-33-12)13-2-4-17(25-10-13)21(22,23)24)11-32-18-5-3-16(27-28-18)20(30)26-14-6-8-31-9-7-14/h2-5,10,14H,6-9,11H2,1H3,(H,26,30)
InChIKeyFUKXWTBJKBFICR-UHFFFAOYSA-N
MW463.42 g/mol
LogP3.34
Rot. Bonds6

About 6-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide

6-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide (PubChem CID 134588508) has the molecular formula C21H20F3N5O4 and a molecular weight of 463.42 g/mol. Its IUPAC name is 6-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide
PubChem CID134588508
Molecular FormulaC21H20F3N5O4
Molecular Weight463.42 g/mol
Exact Mass463.15
IUPAC Name6-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide
SMILESCc1onc(-c2ccc(C(F)(F)F)nc2)c1COc1ccc(C(=O)NC2CCOCC2)nn1
InChIInChI=1S/C21H20F3N5O4/c1-12-15(19(29-33-12)13-2-4-17(25-10-13)21(22,23)24)11-32-18-5-3-16(27-28-18)20(30)26-14-6-8-31-9-7-14/h2-5,10,14H,6-9,11H2,1H3,(H,26,30)
InChIKeyFUKXWTBJKBFICR-UHFFFAOYSA-N
XLogP3.34
TPSA112.26 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.42
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide (CID 134588508) is 6-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide is Cc1onc(-c2ccc(C(F)(F)F)nc2)c1COc1ccc(C(=O)NC2CCOCC2)nn1.
What is the InChIKey of 6-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide?
The InChIKey is FUKXWTBJKBFICR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20F3N5O4/c1-12-15(19(29-33-12)13-2-4-17(25-10-13)21(22,23)24)11-32-18-5-3-16(27-28-18)20(30)26-14-6-8-31-9-7-14/h2-5,10,14H,6-9,11H2,1H3,(H,26,30).
What are the key properties of 6-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide?
6-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide has a molecular weight of 463.42 g/mol, XLogP of 3.34, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 134588508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).