4-(2,4-difluorophenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine

C13H8F2N4O — CID 104670796

IUPAC4-(2,4-difluorophenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccnnc2)c1-c1ccc(F)cc1F
InChIInChI=1S/C13H8F2N4O/c14-8-1-2-9(10(15)5-8)11-12(19-20-13(11)16)7-3-4-17-18-6-7/h1-6H,16H2
InChIKeyXMIYEQNXONGFQV-UHFFFAOYSA-N
MW274.23 g/mol
LogP2.66
Rot. Bonds2

About 4-(2,4-difluorophenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine

4-(2,4-difluorophenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine (PubChem CID 104670796) has the molecular formula C13H8F2N4O and a molecular weight of 274.23 g/mol. Its IUPAC name is 4-(2,4-difluorophenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2,4-difluorophenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine
PubChem CID104670796
Molecular FormulaC13H8F2N4O
Molecular Weight274.23 g/mol
Exact Mass274.07
IUPAC Name4-(2,4-difluorophenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccnnc2)c1-c1ccc(F)cc1F
InChIInChI=1S/C13H8F2N4O/c14-8-1-2-9(10(15)5-8)11-12(19-20-13(11)16)7-3-4-17-18-6-7/h1-6H,16H2
InChIKeyXMIYEQNXONGFQV-UHFFFAOYSA-N
XLogP2.66
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.23
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-fluorophenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine
CID 104670755
4-(2,4-difluorophenyl)-3-(3-fluoro-4-pyridinyl)-1,2-oxazol-5-amine
CID 64949320
4-(2,4-difluorophenyl)-3-(2-fluorophenyl)-1,2-oxazol-5-amine
CID 64559713
4-(2-methylphenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine
CID 104670744
4-phenyl-3-pyridazin-4-yl-1,2-oxazol-5-amine
CID 113439303
4-(3,4-dichlorophenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine
CID 104670785
4-(2,4-difluorophenyl)-3-(1-methylpyrazol-3-yl)-1,2-oxazol-5-amine
CID 103119587
4-(1,3-benzodioxol-5-yl)-3-pyridazin-4-yl-1,2-oxazol-5-amine
CID 104670770
3-(3-chloro-4-methylthiophen-2-yl)-4-(2,4-difluorophenyl)-1,2-oxazol-5-amine
CID 103402516
3-(2,4-difluorophenyl)-4-(3-methylphenyl)-1,2-oxazol-5-amine
CID 62830128
4-(2,4-difluorophenyl)-5-pyridin-4-yl-1,2-oxazol-3-amine
CID 66201497
4-(2-chloro-4-fluorophenyl)-3-(3-chlorophenyl)-1,2-oxazol-5-amine
CID 63036543

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine?
The IUPAC name of 4-(2,4-difluorophenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine (CID 104670796) is 4-(2,4-difluorophenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2,4-difluorophenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2,4-difluorophenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine is Nc1onc(-c2ccnnc2)c1-c1ccc(F)cc1F.
What is the InChIKey of 4-(2,4-difluorophenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine?
The InChIKey is XMIYEQNXONGFQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F2N4O/c14-8-1-2-9(10(15)5-8)11-12(19-20-13(11)16)7-3-4-17-18-6-7/h1-6H,16H2.
What are the key properties of 4-(2,4-difluorophenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine?
4-(2,4-difluorophenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine has a molecular weight of 274.23 g/mol, XLogP of 2.66, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 104670796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).