N-(5-methyl-1,2-oxazol-3-yl)-2-[6-oxo-3-phenyl-5-(trifluoromethyl)pyridazin-1-yl]acetamide

C17H13F3N4O3 — CID 31057462

IUPACN-(5-methyl-1,2-oxazol-3-yl)-2-[6-oxo-3-phenyl-5-(trifluoromethyl)pyridazin-1-yl]acetamide
SMILESCc1cc(NC(=O)Cn2nc(-c3ccccc3)cc(C(F)(F)F)c2=O)no1
InChIInChI=1S/C17H13F3N4O3/c1-10-7-14(23-27-10)21-15(25)9-24-16(26)12(17(18,19)20)8-13(22-24)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,21,23,25)
InChIKeyLJZBZRAXFMDTAT-UHFFFAOYSA-N
MW378.31 g/mol
LogP2.86
Rot. Bonds4

About N-(5-methyl-1,2-oxazol-3-yl)-2-[6-oxo-3-phenyl-5-(trifluoromethyl)pyridazin-1-yl]acetamide

N-(5-methyl-1,2-oxazol-3-yl)-2-[6-oxo-3-phenyl-5-(trifluoromethyl)pyridazin-1-yl]acetamide (PubChem CID 31057462) has the molecular formula C17H13F3N4O3 and a molecular weight of 378.31 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-2-[6-oxo-3-phenyl-5-(trifluoromethyl)pyridazin-1-yl]acetamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-2-[6-oxo-3-phenyl-5-(trifluoromethyl)pyridazin-1-yl]acetamide
PubChem CID31057462
Molecular FormulaC17H13F3N4O3
Molecular Weight378.31 g/mol
Exact Mass378.09
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-2-[6-oxo-3-phenyl-5-(trifluoromethyl)pyridazin-1-yl]acetamide
SMILESCc1cc(NC(=O)Cn2nc(-c3ccccc3)cc(C(F)(F)F)c2=O)no1
InChIInChI=1S/C17H13F3N4O3/c1-10-7-14(23-27-10)21-15(25)9-24-16(26)12(17(18,19)20)8-13(22-24)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,21,23,25)
InChIKeyLJZBZRAXFMDTAT-UHFFFAOYSA-N
XLogP2.86
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.31
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7659969
2-(5-acetamido-6-oxo-3-phenylpyridazin-1-yl)-N-[2-chloro-5-(trifluoromethyl)phenyl]acetamide
CID 50813030
3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 51103376
2-(5-acetamido-6-oxo-3-phenylpyridazin-1-yl)-N-(2-bromophenyl)acetamide
CID 50812937
2-[[4-(cyclopropanecarbonyl)piperazin-1-yl]methyl]-6-phenyl-4-(trifluoromethyl)pyridazin-3-one
CID 17458550
2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanyl-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 51297120
N-(5-methyl-1,2-oxazol-3-yl)-2-(7-oxo-3-phenyltriazolo[4,5-d]pyrimidin-6-yl)acetamide
CID 7111159
2-[3-(2,5-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7671843
2-[2-hydroxy-3-(2-methylpropoxy)propyl]-6-phenyl-4-(trifluoromethyl)pyridazin-3-one
CID 154836010
2-(N-ethylanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 47121660
2-(4-benzyl-2,3-dioxopiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 20932177
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 3533504

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[6-oxo-3-phenyl-5-(trifluoromethyl)pyridazin-1-yl]acetamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-2-[6-oxo-3-phenyl-5-(trifluoromethyl)pyridazin-1-yl]acetamide (CID 31057462) is N-(5-methyl-1,2-oxazol-3-yl)-2-[6-oxo-3-phenyl-5-(trifluoromethyl)pyridazin-1-yl]acetamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-2-[6-oxo-3-phenyl-5-(trifluoromethyl)pyridazin-1-yl]acetamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-2-[6-oxo-3-phenyl-5-(trifluoromethyl)pyridazin-1-yl]acetamide is Cc1cc(NC(=O)Cn2nc(-c3ccccc3)cc(C(F)(F)F)c2=O)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-2-[6-oxo-3-phenyl-5-(trifluoromethyl)pyridazin-1-yl]acetamide?
The InChIKey is LJZBZRAXFMDTAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O3/c1-10-7-14(23-27-10)21-15(25)9-24-16(26)12(17(18,19)20)8-13(22-24)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,21,23,25).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-2-[6-oxo-3-phenyl-5-(trifluoromethyl)pyridazin-1-yl]acetamide?
N-(5-methyl-1,2-oxazol-3-yl)-2-[6-oxo-3-phenyl-5-(trifluoromethyl)pyridazin-1-yl]acetamide has a molecular weight of 378.31 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-2-[6-oxo-3-phenyl-5-(trifluoromethyl)pyridazin-1-yl]acetamide is sourced from PubChem (CID 31057462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).