6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide

C17H14F3N5O3 — CID 42630130

IUPAC6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
SMILESCc1onc(-c2ccccn2)c1COc1ccc(C(=O)NCC(F)(F)F)nn1
InChIInChI=1S/C17H14F3N5O3/c1-10-11(15(25-28-10)12-4-2-3-7-21-12)8-27-14-6-5-13(23-24-14)16(26)22-9-17(18,19)20/h2-7H,8-9H2,1H3,(H,22,26)
InChIKeyHERQMNBGSLNSGW-UHFFFAOYSA-N
MW393.33 g/mol
LogP2.71
Rot. Bonds6

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

6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide (PubChem CID 42630130) has the molecular formula C17H14F3N5O3 and a molecular weight of 393.33 g/mol. Its IUPAC name is 6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
PubChem CID42630130
Molecular FormulaC17H14F3N5O3
Molecular Weight393.33 g/mol
Exact Mass393.10
IUPAC Name6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
SMILESCc1onc(-c2ccccn2)c1COc1ccc(C(=O)NCC(F)(F)F)nn1
InChIInChI=1S/C17H14F3N5O3/c1-10-11(15(25-28-10)12-4-2-3-7-21-12)8-27-14-6-5-13(23-24-14)16(26)22-9-17(18,19)20/h2-7H,8-9H2,1H3,(H,22,26)
InChIKeyHERQMNBGSLNSGW-UHFFFAOYSA-N
XLogP2.71
TPSA103.03 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.33
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylic acid
CID 42630170
6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 67157780
1-methyl-3-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyrazole-5-carboxylic acid
CID 66643856
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
N-(3-hydroxy-2-methylpropyl)-1-methyl-3-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyrazole-5-carboxamide
CID 163476575
ethyl 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridazine-3-carboxylate
CID 42630254
(2-amino-2-oxoethyl) 5-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]pyridine-2-carboxylate
CID 66644602
N-cyclopropyl-6-[(5-methyl-3-pyridin-4-yl-1,2-oxazol-4-yl)methoxy]pyridazine-3-carboxamide
CID 67158115
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)benzamide
CID 7535370
3-[(3-butyl-5-methyl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)-1H-pyrazole-5-carboxamide
CID 59568483
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]pyridazine-3-carboxamide
CID 134604405

Frequently Asked Questions

What is the IUPAC name of 6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide (CID 42630130) is 6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide is Cc1onc(-c2ccccn2)c1COc1ccc(C(=O)NCC(F)(F)F)nn1.
What is the InChIKey of 6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
The InChIKey is HERQMNBGSLNSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F3N5O3/c1-10-11(15(25-28-10)12-4-2-3-7-21-12)8-27-14-6-5-13(23-24-14)16(26)22-9-17(18,19)20/h2-7H,8-9H2,1H3,(H,22,26).
What are the key properties of 6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide has a molecular weight of 393.33 g/mol, XLogP of 2.71, 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-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 42630130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).