6-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[(3-fluorophenyl)methyl]pyridazin-3-one

C17H17FN4O2 — CID 53157284

IUPAC6-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[(3-fluorophenyl)methyl]pyridazin-3-one
SMILESCC(C)(C)c1noc(-c2ccc(=O)n(Cc3cccc(F)c3)n2)n1
InChIInChI=1S/C17H17FN4O2/c1-17(2,3)16-19-15(24-21-16)13-7-8-14(23)22(20-13)10-11-5-4-6-12(18)9-11/h4-9H,10H2,1-3H3
InChIKeyVCDHUSGONSFLRQ-UHFFFAOYSA-N
MW328.35 g/mol
LogP2.78
Rot. Bonds3

About 6-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[(3-fluorophenyl)methyl]pyridazin-3-one

6-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[(3-fluorophenyl)methyl]pyridazin-3-one (PubChem CID 53157284) has the molecular formula C17H17FN4O2 and a molecular weight of 328.35 g/mol. Its IUPAC name is 6-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[(3-fluorophenyl)methyl]pyridazin-3-one.

Molecular Properties

Compound Name6-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[(3-fluorophenyl)methyl]pyridazin-3-one
PubChem CID53157284
Molecular FormulaC17H17FN4O2
Molecular Weight328.35 g/mol
Exact Mass328.13
IUPAC Name6-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[(3-fluorophenyl)methyl]pyridazin-3-one
SMILESCC(C)(C)c1noc(-c2ccc(=O)n(Cc3cccc(F)c3)n2)n1
InChIInChI=1S/C17H17FN4O2/c1-17(2,3)16-19-15(24-21-16)13-7-8-14(23)22(20-13)10-11-5-4-6-12(18)9-11/h4-9H,10H2,1-3H3
InChIKeyVCDHUSGONSFLRQ-UHFFFAOYSA-N
XLogP2.78
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(3,5-difluorophenyl)-2-[[3-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]pyridazin-3-one
CID 24830125
2-[(3-fluorophenyl)methyl]-6-[2-(2-methoxy-2-methylpropoxy)pyrimidin-5-yl]pyridazin-3-one
CID 158268340
6-(3,4-dimethoxyphenyl)-2-[(3-fluorophenyl)methyl]pyridazin-3-one
CID 7659905
2-benzyl-6-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]pyridazin-3-one
CID 120957494
6-(4-fluorophenyl)-2-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]methyl]pyridazin-3-one
CID 24829949
6-(3,5-difluorophenyl)-2-[[3-[5-[(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]phenyl]methyl]pyridazin-3-one
CID 24830121
N-(2-ethylphenyl)-1-[(3-fluorophenyl)methyl]-6-oxopyridazine-3-carboxamide
CID 42161937
2-[(2-chloro-4-fluorophenyl)methyl]-6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridazin-3-one
CID 119099447
6-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-2-[(2-methylphenyl)methyl]pyridazin-3-one
CID 53157215
2-[(3-aminophenyl)methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;ethane
CID 143480951
2-[[3-[5-(butylamino)-1,2,4-oxadiazol-3-yl]phenyl]methyl]-6-(3,5-difluorophenyl)pyridazin-3-one;ethane
CID 143623684
N-(3-fluorophenyl)-2-[6-oxo-3-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)pyridazin-1-yl]acetamide
CID 53157397

Frequently Asked Questions

What is the IUPAC name of 6-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[(3-fluorophenyl)methyl]pyridazin-3-one?
The IUPAC name of 6-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[(3-fluorophenyl)methyl]pyridazin-3-one (CID 53157284) is 6-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[(3-fluorophenyl)methyl]pyridazin-3-one.
What is the SMILES notation for 6-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[(3-fluorophenyl)methyl]pyridazin-3-one?
The canonical SMILES for 6-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[(3-fluorophenyl)methyl]pyridazin-3-one is CC(C)(C)c1noc(-c2ccc(=O)n(Cc3cccc(F)c3)n2)n1.
What is the InChIKey of 6-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[(3-fluorophenyl)methyl]pyridazin-3-one?
The InChIKey is VCDHUSGONSFLRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17FN4O2/c1-17(2,3)16-19-15(24-21-16)13-7-8-14(23)22(20-13)10-11-5-4-6-12(18)9-11/h4-9H,10H2,1-3H3.
What are the key properties of 6-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[(3-fluorophenyl)methyl]pyridazin-3-one?
6-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[(3-fluorophenyl)methyl]pyridazin-3-one has a molecular weight of 328.35 g/mol, XLogP of 2.78, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-[(3-fluorophenyl)methyl]pyridazin-3-one is sourced from PubChem (CID 53157284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).