N-(5-methyl-1,2-oxazol-3-yl)-6-(4-phenoxyanilino)pyridazine-3-carboxamide

C21H17N5O3 — CID 109130085

IUPACN-(5-methyl-1,2-oxazol-3-yl)-6-(4-phenoxyanilino)pyridazine-3-carboxamide
SMILESCc1cc(NC(=O)c2ccc(Nc3ccc(Oc4ccccc4)cc3)nn2)no1
InChIInChI=1S/C21H17N5O3/c1-14-13-20(26-29-14)23-21(27)18-11-12-19(25-24-18)22-15-7-9-17(10-8-15)28-16-5-3-2-4-6-16/h2-13H,1H3,(H,22,25)(H,23,26,27)
InChIKeyCLVWYZRTQQFMQI-UHFFFAOYSA-N
MW387.40 g/mol
LogP4.56
Rot. Bonds6

About N-(5-methyl-1,2-oxazol-3-yl)-6-(4-phenoxyanilino)pyridazine-3-carboxamide

N-(5-methyl-1,2-oxazol-3-yl)-6-(4-phenoxyanilino)pyridazine-3-carboxamide (PubChem CID 109130085) has the molecular formula C21H17N5O3 and a molecular weight of 387.40 g/mol. Its IUPAC name is N-(5-methyl-1,2-oxazol-3-yl)-6-(4-phenoxyanilino)pyridazine-3-carboxamide.

Molecular Properties

Compound NameN-(5-methyl-1,2-oxazol-3-yl)-6-(4-phenoxyanilino)pyridazine-3-carboxamide
PubChem CID109130085
Molecular FormulaC21H17N5O3
Molecular Weight387.40 g/mol
Exact Mass387.13
IUPAC NameN-(5-methyl-1,2-oxazol-3-yl)-6-(4-phenoxyanilino)pyridazine-3-carboxamide
SMILESCc1cc(NC(=O)c2ccc(Nc3ccc(Oc4ccccc4)cc3)nn2)no1
InChIInChI=1S/C21H17N5O3/c1-14-13-20(26-29-14)23-21(27)18-11-12-19(25-24-18)22-15-7-9-17(10-8-15)28-16-5-3-2-4-6-16/h2-13H,1H3,(H,22,25)(H,23,26,27)
InChIKeyCLVWYZRTQQFMQI-UHFFFAOYSA-N
XLogP4.56
TPSA102.17 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.40
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

N-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenoxyanilino)pyrimidine-4-carboxamide
CID 109318464
N-(5-methyl-1,2-oxazol-3-yl)-6-(2-propan-2-ylanilino)pyridazine-3-carboxamide
CID 109128180
5-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(2-phenoxyphenyl)pyridine-2-carboxamide
CID 109200821
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-phenoxyanilino)acetamide
CID 39912338
N-(5-methyl-1,2-oxazol-3-yl)-4-(2-phenoxyanilino)pyridine-2-carboxamide
CID 109222599
6-(tert-butylamino)-N-(5-methyl-1,2-oxazol-3-yl)pyridazine-3-carboxamide
CID 109124832
methyl 2-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carbonyl]amino]benzoate
CID 109129945
N-(3,4-difluorophenyl)-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carboxamide
CID 109130413
N-[3-(dimethylamino)propyl]-6-(4-phenoxyanilino)pyridazine-3-carboxamide
CID 109116087
N-[6-(4-phenoxyanilino)pyridazin-3-yl]propanamide
CID 113049889
6-[(5-methyl-1,2-oxazol-3-yl)amino]-N-(2-propan-2-yloxyphenyl)pyridazine-3-carboxamide
CID 109129623
ethyl 4-[[6-[(5-methyl-1,2-oxazol-3-yl)amino]pyridazine-3-carbonyl]amino]benzoate
CID 109130228

Frequently Asked Questions

What is the IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-6-(4-phenoxyanilino)pyridazine-3-carboxamide?
The IUPAC name of N-(5-methyl-1,2-oxazol-3-yl)-6-(4-phenoxyanilino)pyridazine-3-carboxamide (CID 109130085) is N-(5-methyl-1,2-oxazol-3-yl)-6-(4-phenoxyanilino)pyridazine-3-carboxamide.
What is the SMILES notation for N-(5-methyl-1,2-oxazol-3-yl)-6-(4-phenoxyanilino)pyridazine-3-carboxamide?
The canonical SMILES for N-(5-methyl-1,2-oxazol-3-yl)-6-(4-phenoxyanilino)pyridazine-3-carboxamide is Cc1cc(NC(=O)c2ccc(Nc3ccc(Oc4ccccc4)cc3)nn2)no1.
What is the InChIKey of N-(5-methyl-1,2-oxazol-3-yl)-6-(4-phenoxyanilino)pyridazine-3-carboxamide?
The InChIKey is CLVWYZRTQQFMQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N5O3/c1-14-13-20(26-29-14)23-21(27)18-11-12-19(25-24-18)22-15-7-9-17(10-8-15)28-16-5-3-2-4-6-16/h2-13H,1H3,(H,22,25)(H,23,26,27).
What are the key properties of N-(5-methyl-1,2-oxazol-3-yl)-6-(4-phenoxyanilino)pyridazine-3-carboxamide?
N-(5-methyl-1,2-oxazol-3-yl)-6-(4-phenoxyanilino)pyridazine-3-carboxamide has a molecular weight of 387.40 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-methyl-1,2-oxazol-3-yl)-6-(4-phenoxyanilino)pyridazine-3-carboxamide is sourced from PubChem (CID 109130085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).