3-(4-fluoro-3-methylphenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]-1H-pyridazin-6-one

C15H13FN4O2 — CID 70889953

IUPAC3-(4-fluoro-3-methylphenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]-1H-pyridazin-6-one
SMILESCc1cc(Nc2cc(-c3ccc(F)c(C)c3)n[nH]c2=O)no1
InChIInChI=1S/C15H13FN4O2/c1-8-5-10(3-4-11(8)16)12-7-13(15(21)19-18-12)17-14-6-9(2)22-20-14/h3-7H,1-2H3,(H,19,21)(H,17,18,20)
InChIKeySCFUXKRJUULCJN-UHFFFAOYSA-N
MW300.29 g/mol
LogP2.92
Rot. Bonds3

About 3-(4-fluoro-3-methylphenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]-1H-pyridazin-6-one

3-(4-fluoro-3-methylphenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]-1H-pyridazin-6-one (PubChem CID 70889953) has the molecular formula C15H13FN4O2 and a molecular weight of 300.29 g/mol. Its IUPAC name is 3-(4-fluoro-3-methylphenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]-1H-pyridazin-6-one.

Molecular Properties

Compound Name3-(4-fluoro-3-methylphenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]-1H-pyridazin-6-one
PubChem CID70889953
Molecular FormulaC15H13FN4O2
Molecular Weight300.29 g/mol
Exact Mass300.10
IUPAC Name3-(4-fluoro-3-methylphenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]-1H-pyridazin-6-one
SMILESCc1cc(Nc2cc(-c3ccc(F)c(C)c3)n[nH]c2=O)no1
InChIInChI=1S/C15H13FN4O2/c1-8-5-10(3-4-11(8)16)12-7-13(15(21)19-18-12)17-14-6-9(2)22-20-14/h3-7H,1-2H3,(H,19,21)(H,17,18,20)
InChIKeySCFUXKRJUULCJN-UHFFFAOYSA-N
XLogP2.92
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.29
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluoro-3-methylphenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]-1H-pyridazin-6-one?
The IUPAC name of 3-(4-fluoro-3-methylphenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]-1H-pyridazin-6-one (CID 70889953) is 3-(4-fluoro-3-methylphenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]-1H-pyridazin-6-one.
What is the SMILES notation for 3-(4-fluoro-3-methylphenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]-1H-pyridazin-6-one?
The canonical SMILES for 3-(4-fluoro-3-methylphenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]-1H-pyridazin-6-one is Cc1cc(Nc2cc(-c3ccc(F)c(C)c3)n[nH]c2=O)no1.
What is the InChIKey of 3-(4-fluoro-3-methylphenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]-1H-pyridazin-6-one?
The InChIKey is SCFUXKRJUULCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13FN4O2/c1-8-5-10(3-4-11(8)16)12-7-13(15(21)19-18-12)17-14-6-9(2)22-20-14/h3-7H,1-2H3,(H,19,21)(H,17,18,20).
What are the key properties of 3-(4-fluoro-3-methylphenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]-1H-pyridazin-6-one?
3-(4-fluoro-3-methylphenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]-1H-pyridazin-6-one has a molecular weight of 300.29 g/mol, XLogP of 2.92, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluoro-3-methylphenyl)-5-[(5-methyl-1,2-oxazol-3-yl)amino]-1H-pyridazin-6-one is sourced from PubChem (CID 70889953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).