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

C13H8Cl2N4O — CID 104670785

IUPAC4-(3,4-dichlorophenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccnnc2)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H8Cl2N4O/c14-9-2-1-7(5-10(9)15)11-12(19-20-13(11)16)8-3-4-17-18-6-8/h1-6H,16H2
InChIKeyDUTDCQAQFRITKC-UHFFFAOYSA-N
MW307.14 g/mol
LogP3.69
Rot. Bonds2

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

4-(3,4-dichlorophenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine (PubChem CID 104670785) has the molecular formula C13H8Cl2N4O and a molecular weight of 307.14 g/mol. Its IUPAC name is 4-(3,4-dichlorophenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(3,4-dichlorophenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine
PubChem CID104670785
Molecular FormulaC13H8Cl2N4O
Molecular Weight307.14 g/mol
Exact Mass306.01
IUPAC Name4-(3,4-dichlorophenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccnnc2)c1-c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H8Cl2N4O/c14-9-2-1-7(5-10(9)15)11-12(19-20-13(11)16)8-3-4-17-18-6-8/h1-6H,16H2
InChIKeyDUTDCQAQFRITKC-UHFFFAOYSA-N
XLogP3.69
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.14
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(1,3-benzodioxol-5-yl)-3-pyridazin-4-yl-1,2-oxazol-5-amine
CID 104670770
4-(4-fluorophenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine
CID 104670755
4-phenyl-3-pyridazin-4-yl-1,2-oxazol-5-amine
CID 113439303
4-(3,4-dichlorophenyl)-3-(2-methyl-4-pyridinyl)-1,2-oxazol-5-amine
CID 106753207
4-(3,4-dichlorophenyl)-3-(5-fluoro-3-pyridinyl)-1,2-oxazol-5-amine
CID 104786016
4-(2,4-difluorophenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine
CID 104670796
3-(2-bromophenyl)-4-(3,4-dichlorophenyl)-1,2-oxazol-5-amine
CID 63534436
4-(2-methylphenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine
CID 104670744
3-(4-bromo-3-chlorophenyl)-4-(4-chlorophenyl)-1,2-oxazol-5-amine
CID 81291675
4-(3,4-dichlorophenyl)-3-(3-methoxythiophen-2-yl)-1,2-oxazol-5-amine
CID 81122721
3-(4-bromo-3-chlorophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 81294873
4-(1,3-benzodioxol-5-yl)-3-pyridin-3-yl-1,2-oxazol-5-amine
CID 43336149

Frequently Asked Questions

What is the IUPAC name of 4-(3,4-dichlorophenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine?
The IUPAC name of 4-(3,4-dichlorophenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine (CID 104670785) is 4-(3,4-dichlorophenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(3,4-dichlorophenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine?
The canonical SMILES for 4-(3,4-dichlorophenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine is Nc1onc(-c2ccnnc2)c1-c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 4-(3,4-dichlorophenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine?
The InChIKey is DUTDCQAQFRITKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8Cl2N4O/c14-9-2-1-7(5-10(9)15)11-12(19-20-13(11)16)8-3-4-17-18-6-8/h1-6H,16H2.
What are the key properties of 4-(3,4-dichlorophenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine?
4-(3,4-dichlorophenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine has a molecular weight of 307.14 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,4-dichlorophenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 104670785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).