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

C20H20F3N5O3 — CID 134590463

IUPAC6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridazine-3-carboxamide
SMILESCc1ccc(-c2noc(C)c2COc2ccc(C(=O)NC(C)(C)C(F)(F)F)nn2)cn1
InChIInChI=1S/C20H20F3N5O3/c1-11-5-6-13(9-24-11)17-14(12(2)31-28-17)10-30-16-8-7-15(26-27-16)18(29)25-19(3,4)20(21,22)23/h5-9H,10H2,1-4H3,(H,25,29)
InChIKeyRPWZDMRYJDLFFQ-UHFFFAOYSA-N
MW435.41 g/mol
LogP3.79
Rot. Bonds6

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

6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridazine-3-carboxamide (PubChem CID 134590463) has the molecular formula C20H20F3N5O3 and a molecular weight of 435.41 g/mol. Its IUPAC name is 6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridazine-3-carboxamide
PubChem CID134590463
Molecular FormulaC20H20F3N5O3
Molecular Weight435.41 g/mol
Exact Mass435.15
IUPAC Name6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridazine-3-carboxamide
SMILESCc1ccc(-c2noc(C)c2COc2ccc(C(=O)NC(C)(C)C(F)(F)F)nn2)cn1
InChIInChI=1S/C20H20F3N5O3/c1-11-5-6-13(9-24-11)17-14(12(2)31-28-17)10-30-16-8-7-15(26-27-16)18(29)25-19(3,4)20(21,22)23/h5-9H,10H2,1-4H3,(H,25,29)
InChIKeyRPWZDMRYJDLFFQ-UHFFFAOYSA-N
XLogP3.79
TPSA103.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.41
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridazine-3-carboxamide with MolForge

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Related Compounds

6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide
CID 134604405
N-(4-ethoxycyclohexyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide
CID 134604565
N-(3-ethoxycyclobutyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide
CID 134588347
6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(3S)-oxan-3-yl]pyridazine-3-carboxamide
CID 134590430
(3-fluoroazetidin-1-yl)-[6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazin-3-yl]methanone
CID 134588483
N-(3-methoxycyclopentyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide
CID 139529922
N-[(1R,3S)-3-hydroxy-3-methylcyclopentyl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide
CID 139546813
N-[4-(2,2-difluoroethoxy)cyclohexyl]-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide
CID 134588497
6-[[5-methyl-3-[6-(trifluoromethyl)-3-pyridinyl]-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 134588508
6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide
CID 134588619
6-[[5-cyclopropyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(oxan-4-yl)pyridazine-3-carboxamide
CID 134588264
N-cyclopropyl-5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyrazine-2-carboxamide
CID 134588252

Frequently Asked Questions

What is the IUPAC name of 6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridazine-3-carboxamide?
The IUPAC name of 6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridazine-3-carboxamide (CID 134590463) is 6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridazine-3-carboxamide is Cc1ccc(-c2noc(C)c2COc2ccc(C(=O)NC(C)(C)C(F)(F)F)nn2)cn1.
What is the InChIKey of 6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridazine-3-carboxamide?
The InChIKey is RPWZDMRYJDLFFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N5O3/c1-11-5-6-13(9-24-11)17-14(12(2)31-28-17)10-30-16-8-7-15(26-27-16)18(29)25-19(3,4)20(21,22)23/h5-9H,10H2,1-4H3,(H,25,29).
What are the key properties of 6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridazine-3-carboxamide?
6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridazine-3-carboxamide has a molecular weight of 435.41 g/mol, XLogP of 3.79, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridazine-3-carboxamide is sourced from PubChem (CID 134590463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).