1-[6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazin-3-yl]ethanone

C16H11F3N4O2 — CID 167663837

IUPAC1-[6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazin-3-yl]ethanone
SMILESCC(=O)c1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)nn1
InChIInChI=1S/C16H11F3N4O2/c1-9(24)12-6-7-14(23-22-12)21-15-20-8-13(25-15)10-2-4-11(5-3-10)16(17,18)19/h2-8H,1H3,(H,20,21,23)
InChIKeySBAJRWQXRQDQIE-UHFFFAOYSA-N
MW348.28 g/mol
LogP4.10
Rot. Bonds4

About 1-[6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazin-3-yl]ethanone

1-[6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazin-3-yl]ethanone (PubChem CID 167663837) has the molecular formula C16H11F3N4O2 and a molecular weight of 348.28 g/mol. Its IUPAC name is 1-[6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazin-3-yl]ethanone.

Molecular Properties

Compound Name1-[6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazin-3-yl]ethanone
PubChem CID167663837
Molecular FormulaC16H11F3N4O2
Molecular Weight348.28 g/mol
Exact Mass348.08
IUPAC Name1-[6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazin-3-yl]ethanone
SMILESCC(=O)c1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)nn1
InChIInChI=1S/C16H11F3N4O2/c1-9(24)12-6-7-14(23-22-12)21-15-20-8-13(25-15)10-2-4-11(5-3-10)16(17,18)19/h2-8H,1H3,(H,20,21,23)
InChIKeySBAJRWQXRQDQIE-UHFFFAOYSA-N
XLogP4.10
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.28
LogP ≤ 54.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 1-[6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazin-3-yl]ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US11905258, Example 69-39451
CID 139434477
Aminoxazole 23
CID 5329403
2-[5-methyl-4-[4-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049571
2-[5-methyl-4-[4-[5-[3-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperazine-1-carbonyl]pyrazol-1-yl]-3H-pyrrolo[2,1-f][1,2,4]triazin-4-one
CID 137049677
N-(4-fluorophenyl)-5-[3-(2H-tetrazol-5-yl)phenyl]-1,3-oxazol-2-amine
CID 139441371
[4-(1,3-Oxazol-5-yl)phenyl]-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone
CID 53591649
US11905258, Example 68-39450
CID 139441228
2-Acetamido-4-(4-fluorophenyl)-5-(4-pyridyl)oxazole
CID 21704183
2,6-difluoro-N-[5-[2-methyl-5-(1,3-oxazol-5-yl)phenyl]-2-pyridinyl]benzamide
CID 24775715
N-(4-methylpyridin-2-yl)-6-[2-[4-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyridin-2-amine
CID 53312081
N-(4-methylpyridin-2-yl)-6-[2-[3-(trifluoromethyl)phenyl]-1,3-oxazol-5-yl]pyridin-2-amine
CID 53312082
3-Oxazol-5-yl-N-[6-(3-pyridin-3-yl-5-trifluoromethyl-pyrazol-1-yl)-pyridazin-3-yl]-benzamide
CID 57861804

Frequently Asked Questions

What is the IUPAC name of 1-[6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazin-3-yl]ethanone?
The IUPAC name of 1-[6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazin-3-yl]ethanone (CID 167663837) is 1-[6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazin-3-yl]ethanone.
What is the SMILES notation for 1-[6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazin-3-yl]ethanone?
The canonical SMILES for 1-[6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazin-3-yl]ethanone is CC(=O)c1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)nn1.
What is the InChIKey of 1-[6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazin-3-yl]ethanone?
The InChIKey is SBAJRWQXRQDQIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F3N4O2/c1-9(24)12-6-7-14(23-22-12)21-15-20-8-13(25-15)10-2-4-11(5-3-10)16(17,18)19/h2-8H,1H3,(H,20,21,23).
What are the key properties of 1-[6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazin-3-yl]ethanone?
1-[6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazin-3-yl]ethanone has a molecular weight of 348.28 g/mol, XLogP of 4.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazin-3-yl]ethanone is sourced from PubChem (CID 167663837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).