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

C16H13FN4O2 — CID 146079024

IUPAC2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-one
SMILESO=c1ccc(-c2ccc(F)cc2)nn1Cc1nc(C2CC2)no1
InChIInChI=1S/C16H13FN4O2/c17-12-5-3-10(4-6-12)13-7-8-15(22)21(19-13)9-14-18-16(20-23-14)11-1-2-11/h3-8,11H,1-2,9H2
InChIKeyMGOYKJAAAPFVBO-UHFFFAOYSA-N
MW312.30 g/mol
LogP2.36
Rot. Bonds4

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

2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-one (PubChem CID 146079024) has the molecular formula C16H13FN4O2 and a molecular weight of 312.30 g/mol. Its IUPAC name is 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-one.

Molecular Properties

Compound Name2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-one
PubChem CID146079024
Molecular FormulaC16H13FN4O2
Molecular Weight312.30 g/mol
Exact Mass312.10
IUPAC Name2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-one
SMILESO=c1ccc(-c2ccc(F)cc2)nn1Cc1nc(C2CC2)no1
InChIInChI=1S/C16H13FN4O2/c17-12-5-3-10(4-6-12)13-7-8-15(22)21(19-13)9-14-18-16(20-23-14)11-1-2-11/h3-8,11H,1-2,9H2
InChIKeyMGOYKJAAAPFVBO-UHFFFAOYSA-N
XLogP2.36
TPSA73.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.30
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

6-(4-bromophenyl)-2-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
CID 30850166
6-(4-fluorophenyl)-2-[[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
CID 53077316
2-[(2-chloro-4-fluorophenyl)methyl]-6-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyridazin-3-one
CID 119099447
N-cyclohexyl-3-[[3-(4-fluorophenyl)-6-oxopyridazin-1-yl]methyl]-1,2,4-oxadiazole-5-carboxamide
CID 50836384
2-(1,3-benzodioxol-5-ylmethyl)-6-(4-fluorophenyl)pyridazin-3-one
CID 59849703
2-[[3-(3-fluoro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-phenylpyridazin-3-one
CID 87023120
6-(4-bromophenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
CID 53077309
6-(4-chlorophenyl)-2-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]pyridazin-3-one
CID 53077269
6-(4-fluorophenyl)-2-[(2-fluorophenyl)methyl]pyridazin-3-one
CID 7664368
2-[[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]methyl]-6-(4-propan-2-ylphenyl)pyridazin-3-one
CID 53077354
2-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]-4-methyl-5-(4-methylphenyl)-1,2,4-triazol-3-one
CID 167850741
2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-6-(4-propan-2-ylphenyl)pyridazin-3-one
CID 53077346

Frequently Asked Questions

What is the IUPAC name of 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-one?
The IUPAC name of 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-one (CID 146079024) is 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-one.
What is the SMILES notation for 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-one?
The canonical SMILES for 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-one is O=c1ccc(-c2ccc(F)cc2)nn1Cc1nc(C2CC2)no1.
What is the InChIKey of 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-one?
The InChIKey is MGOYKJAAAPFVBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4O2/c17-12-5-3-10(4-6-12)13-7-8-15(22)21(19-13)9-14-18-16(20-23-14)11-1-2-11/h3-8,11H,1-2,9H2.
What are the key properties of 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-one?
2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-one has a molecular weight of 312.30 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-6-(4-fluorophenyl)pyridazin-3-one is sourced from PubChem (CID 146079024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).