3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C17H15FN4O3 — CID 51103376

IUPAC3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCn2nc(-c3ccc(F)cc3)ccc2=O)no1
InChIInChI=1S/C17H15FN4O3/c1-11-10-15(21-25-11)19-16(23)8-9-22-17(24)7-6-14(20-22)12-2-4-13(18)5-3-12/h2-7,10H,8-9H2,1H3,(H,19,21,23)
InChIKeyCUKRMAWKWFNGEK-UHFFFAOYSA-N
MW342.33 g/mol
LogP2.37
Rot. Bonds5

About 3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide

3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 51103376) has the molecular formula C17H15FN4O3 and a molecular weight of 342.33 g/mol. Its IUPAC name is 3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID51103376
Molecular FormulaC17H15FN4O3
Molecular Weight342.33 g/mol
Exact Mass342.11
IUPAC Name3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCn2nc(-c3ccc(F)cc3)ccc2=O)no1
InChIInChI=1S/C17H15FN4O3/c1-11-10-15(21-25-11)19-16(23)8-9-22-17(24)7-6-14(20-22)12-2-4-13(18)5-3-12/h2-7,10H,8-9H2,1H3,(H,19,21,23)
InChIKeyCUKRMAWKWFNGEK-UHFFFAOYSA-N
XLogP2.37
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.33
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(3-methylphenyl)butanamide
CID 16884953
N-(3-methyl-1,2-oxazol-5-yl)-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885784
2-[3-(3,4-dimethoxyphenyl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 7659969
N-(3,4-difluorophenyl)-4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]butanamide
CID 16884903
N-(4-fluorophenyl)-N'-(5-methyl-1,2-oxazol-3-yl)pentanediamide
CID 645214
N-(4,6-dimethylpyrimidin-2-yl)-2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetamide
CID 121051596
N-[(4-fluorophenyl)methyl]-4-[3-(4-methylphenyl)-6-oxopyridazin-1-yl]butanamide
CID 16885718
4-[4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]butanoylamino]benzamide
CID 16885013
methyl 3-[[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]acetyl]amino]propanoate
CID 51054365
2-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2591156
N-[2-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]ethyl]-2-(3-methylphenyl)acetamide
CID 18569696
4-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-[3-(trifluoromethyl)phenyl]butanamide
CID 16884961

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 51103376) is 3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)CCn2nc(-c3ccc(F)cc3)ccc2=O)no1.
What is the InChIKey of 3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is CUKRMAWKWFNGEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN4O3/c1-11-10-15(21-25-11)19-16(23)8-9-22-17(24)7-6-14(20-22)12-2-4-13(18)5-3-12/h2-7,10H,8-9H2,1H3,(H,19,21,23).
What are the key properties of 3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 342.33 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 51103376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).