N-hydroxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide

C15H10F3N5O3 — CID 155585446

IUPACN-hydroxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide
SMILESO=C(NO)c1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)nn1
InChIInChI=1S/C15H10F3N5O3/c16-15(17,18)9-3-1-8(2-4-9)11-7-19-14(26-11)20-12-6-5-10(21-22-12)13(24)23-25/h1-7,25H,(H,23,24)(H,19,20,22)
InChIKeyLUOGFZBRROXEON-UHFFFAOYSA-N
MW365.27 g/mol
LogP3.01
Rot. Bonds4

About N-hydroxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide

N-hydroxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide (PubChem CID 155585446) has the molecular formula C15H10F3N5O3 and a molecular weight of 365.27 g/mol. Its IUPAC name is N-hydroxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide
PubChem CID155585446
Molecular FormulaC15H10F3N5O3
Molecular Weight365.27 g/mol
Exact Mass365.07
IUPAC NameN-hydroxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide
SMILESO=C(NO)c1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)nn1
InChIInChI=1S/C15H10F3N5O3/c16-15(17,18)9-3-1-8(2-4-9)11-7-19-14(26-11)20-12-6-5-10(21-22-12)13(24)23-25/h1-7,25H,(H,23,24)(H,19,20,22)
InChIKeyLUOGFZBRROXEON-UHFFFAOYSA-N
XLogP3.01
TPSA113.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.27
LogP ≤ 53.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

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
[4-(1,3-Oxazol-5-yl)phenyl]-[4-(pyridazin-3-ylamino)piperidin-1-yl]methanone
CID 53591649
N-methyl-4-[[4-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]carbamoylamino]phenyl]methyl]pyridine-2-carboxamide
CID 70301504
5-amino-3-ethyl-1-[2-(1,3-oxazol-5-yl)phenyl]-N-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxamide
CID 140861976
5-amino-1-[2-(1,3-oxazol-5-yl)phenyl]-N-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxamide
CID 140862068
5-amino-3-methyl-1-[2-(1,3-oxazol-5-yl)phenyl]-N-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxamide
CID 140862119
5-amino-1-[3-fluoro-2-(1,3-oxazol-5-yl)phenyl]-3-methyl-N-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxamide
CID 140862163
(5E,7Z)-5-methyl-6-[4-[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]piperazine-1-carbonyl]-1,2,4,8,9-pentazabicyclo[9.3.0]tetradeca-3,5,7,11,13-pentaen-10-one
CID 145287318
ethane;N-hydroxy-N,3-dimethyl-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide
CID 155585098
N-hydroxy-N,3-dimethyl-5-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboxamide
CID 155585099
5-[[5-[3-Fluoro-4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridine-2-carbonitrile
CID 155585103
N'-hydroxy-5-[[5-[5-(trifluoromethyl)-2-pyridinyl]-1,3-oxazol-2-yl]amino]pyridine-2-carboximidamide
CID 155585118

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide?
The IUPAC name of N-hydroxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide (CID 155585446) is N-hydroxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide.
What is the SMILES notation for N-hydroxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide?
The canonical SMILES for N-hydroxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide is O=C(NO)c1ccc(Nc2ncc(-c3ccc(C(F)(F)F)cc3)o2)nn1.
What is the InChIKey of N-hydroxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide?
The InChIKey is LUOGFZBRROXEON-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H10F3N5O3/c16-15(17,18)9-3-1-8(2-4-9)11-7-19-14(26-11)20-12-6-5-10(21-22-12)13(24)23-25/h1-7,25H,(H,23,24)(H,19,20,22).
What are the key properties of N-hydroxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide?
N-hydroxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide has a molecular weight of 365.27 g/mol, XLogP of 3.01, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-6-[[5-[4-(trifluoromethyl)phenyl]-1,3-oxazol-2-yl]amino]pyridazine-3-carboxamide is sourced from PubChem (CID 155585446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).