1,1-difluoro-3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-one

C10H8F2N4O3 — CID 103375278

IUPAC1,1-difluoro-3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
SMILESCOc1ccc(-c2noc(CC(=O)C(F)F)n2)nn1
InChIInChI=1S/C10H8F2N4O3/c1-18-7-3-2-5(14-15-7)10-13-8(19-16-10)4-6(17)9(11)12/h2-3,9H,4H2,1H3
InChIKeyVSHVLCHAWDHRTD-UHFFFAOYSA-N
MW270.19 g/mol
LogP0.91
Rot. Bonds5

About 1,1-difluoro-3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-one

1,1-difluoro-3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-one (PubChem CID 103375278) has the molecular formula C10H8F2N4O3 and a molecular weight of 270.19 g/mol. Its IUPAC name is 1,1-difluoro-3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-one.

Molecular Properties

Compound Name1,1-difluoro-3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
PubChem CID103375278
Molecular FormulaC10H8F2N4O3
Molecular Weight270.19 g/mol
Exact Mass270.06
IUPAC Name1,1-difluoro-3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
SMILESCOc1ccc(-c2noc(CC(=O)C(F)F)n2)nn1
InChIInChI=1S/C10H8F2N4O3/c1-18-7-3-2-5(14-15-7)10-13-8(19-16-10)4-6(17)9(11)12/h2-3,9H,4H2,1H3
InChIKeyVSHVLCHAWDHRTD-UHFFFAOYSA-N
XLogP0.91
TPSA91.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.19
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 103375297
1,1-difluoro-3-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-one
CID 65197647
1-methoxy-3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 103375301
1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 103372818
N-[2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]ethyl]propan-2-amine
CID 103372758
3-hydroxy-4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106527932
1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-N-methylbutan-2-amine
CID 103375352
1,1-difluoro-3-[3-[(4-methoxyphenyl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-one
CID 63345472
1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-N,3,3-trimethylbutan-2-amine
CID 103375325
1,1-difluoro-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-2-one
CID 63346751
N-ethyl-4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 103375313
(1S)-1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 103372937

Frequently Asked Questions

What is the IUPAC name of 1,1-difluoro-3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-one?
The IUPAC name of 1,1-difluoro-3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-one (CID 103375278) is 1,1-difluoro-3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-one.
What is the SMILES notation for 1,1-difluoro-3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-one?
The canonical SMILES for 1,1-difluoro-3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-one is COc1ccc(-c2noc(CC(=O)C(F)F)n2)nn1.
What is the InChIKey of 1,1-difluoro-3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-one?
The InChIKey is VSHVLCHAWDHRTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8F2N4O3/c1-18-7-3-2-5(14-15-7)10-13-8(19-16-10)4-6(17)9(11)12/h2-3,9H,4H2,1H3.
What are the key properties of 1,1-difluoro-3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-one?
1,1-difluoro-3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-one has a molecular weight of 270.19 g/mol, XLogP of 0.91, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1-difluoro-3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]propan-2-one is sourced from PubChem (CID 103375278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).