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

C18H16F3N5O2 — CID 67157780

IUPAC6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
SMILESCc1onc(-c2ccccc2)c1CNc1ccc(C(=O)NCC(F)(F)F)nn1
InChIInChI=1S/C18H16F3N5O2/c1-11-13(16(26-28-11)12-5-3-2-4-6-12)9-22-15-8-7-14(24-25-15)17(27)23-10-18(19,20)21/h2-8H,9-10H2,1H3,(H,22,25)(H,23,27)
InChIKeyIHQMHEWJDSDAOC-UHFFFAOYSA-N
MW391.35 g/mol
LogP3.34
Rot. Bonds6

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

6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide (PubChem CID 67157780) has the molecular formula C18H16F3N5O2 and a molecular weight of 391.35 g/mol. Its IUPAC name is 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
PubChem CID67157780
Molecular FormulaC18H16F3N5O2
Molecular Weight391.35 g/mol
Exact Mass391.13
IUPAC Name6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
SMILESCc1onc(-c2ccccc2)c1CNc1ccc(C(=O)NCC(F)(F)F)nn1
InChIInChI=1S/C18H16F3N5O2/c1-11-13(16(26-28-11)12-5-3-2-4-6-12)9-22-15-8-7-14(24-25-15)17(27)23-10-18(19,20)21/h2-8H,9-10H2,1H3,(H,22,25)(H,23,27)
InChIKeyIHQMHEWJDSDAOC-UHFFFAOYSA-N
XLogP3.34
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.35
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

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Related Compounds

N-cyclopropyl-6-[[3-(4-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]methylamino]pyridazine-3-carboxamide
CID 67158061
6-[(5-methyl-3-pyridin-2-yl-1,2-oxazol-4-yl)methoxy]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide
CID 42630130
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)benzamide
CID 34066495
2,2-dimethyl-3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]propanoic acid
CID 119249512
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-hydrazinylpyridazine-3-carboxamide
CID 79237761
N-methyl-6-[(5-phenyl-1,2-oxazol-3-yl)methylamino]pyridazine-3-carboxamide
CID 133343449
1-(3,5-dimethylphenyl)-3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]urea
CID 2738199
4-(bromomethyl)-5-methyl-3-phenyl-1,2-oxazole
CID 2776147
6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-4-(trifluoromethyl)pyridine-3-carboxylic acid;2,2,2-trifluoroethanamine
CID 158854945
2-phenyl-N-(2,2,2-trifluoroethyl)-1,3-thiazole-4-carboxamide
CID 18105647
6-(benzylamino)-N-(2,6-dimethylphenyl)pyridazine-3-carboxamide
CID 109117752
ethyl 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridazine-3-carboxylate
CID 42630254

Frequently Asked Questions

What is the IUPAC name of 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
The IUPAC name of 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide (CID 67157780) is 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide.
What is the SMILES notation for 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
The canonical SMILES for 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide is Cc1onc(-c2ccccc2)c1CNc1ccc(C(=O)NCC(F)(F)F)nn1.
What is the InChIKey of 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
The InChIKey is IHQMHEWJDSDAOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F3N5O2/c1-11-13(16(26-28-11)12-5-3-2-4-6-12)9-22-15-8-7-14(24-25-15)17(27)23-10-18(19,20)21/h2-8H,9-10H2,1H3,(H,22,25)(H,23,27).
What are the key properties of 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide?
6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide has a molecular weight of 391.35 g/mol, XLogP of 3.34, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methylamino]-N-(2,2,2-trifluoroethyl)pyridazine-3-carboxamide is sourced from PubChem (CID 67157780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).