4-phenyl-3-pyridazin-4-yl-1,2-oxazol-5-amine

C13H10N4O — CID 113439303

IUPAC4-phenyl-3-pyridazin-4-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccnnc2)c1-c1ccccc1
InChIInChI=1S/C13H10N4O/c14-13-11(9-4-2-1-3-5-9)12(17-18-13)10-6-7-15-16-8-10/h1-8H,14H2
InChIKeyXCGWPGIOPJBPNR-UHFFFAOYSA-N
MW238.25 g/mol
LogP2.38
Rot. Bonds2

About 4-phenyl-3-pyridazin-4-yl-1,2-oxazol-5-amine

4-phenyl-3-pyridazin-4-yl-1,2-oxazol-5-amine (PubChem CID 113439303) has the molecular formula C13H10N4O and a molecular weight of 238.25 g/mol. Its IUPAC name is 4-phenyl-3-pyridazin-4-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-phenyl-3-pyridazin-4-yl-1,2-oxazol-5-amine
PubChem CID113439303
Molecular FormulaC13H10N4O
Molecular Weight238.25 g/mol
Exact Mass238.09
IUPAC Name4-phenyl-3-pyridazin-4-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccnnc2)c1-c1ccccc1
InChIInChI=1S/C13H10N4O/c14-13-11(9-4-2-1-3-5-9)12(17-18-13)10-6-7-15-16-8-10/h1-8H,14H2
InChIKeyXCGWPGIOPJBPNR-UHFFFAOYSA-N
XLogP2.38
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.25
LogP ≤ 52.38
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-methylphenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine
CID 104670744
4-(3,4-dichlorophenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine
CID 104670785
3-(4-phenylphenyl)-4-pyridin-4-yl-1,2-oxazol-5-amine
CID 69006280
4-(1,3-benzodioxol-5-yl)-3-pyridazin-4-yl-1,2-oxazol-5-amine
CID 104670770
3-(2-methyl-4-pyridinyl)-4-phenyl-1,2-oxazol-5-amine
CID 106753190
4-(2,4-difluorophenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine
CID 104670796
3-(3,5-difluorophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335733
3-(2-bromophenyl)-4-phenyl-1,2-oxazol-5-amine
CID 43335720
4-(3,5-difluorophenyl)-3-phenyl-1,2-oxazol-5-amine
CID 61496302
4-(3-methylphenyl)-3-phenyl-1,2-oxazol-5-amine
CID 62829774
3-(3-chlorothiophen-2-yl)-4-phenyl-1,2-oxazol-5-amine
CID 80645292

Frequently Asked Questions

What is the IUPAC name of 4-phenyl-3-pyridazin-4-yl-1,2-oxazol-5-amine?
The IUPAC name of 4-phenyl-3-pyridazin-4-yl-1,2-oxazol-5-amine (CID 113439303) is 4-phenyl-3-pyridazin-4-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 4-phenyl-3-pyridazin-4-yl-1,2-oxazol-5-amine?
The canonical SMILES for 4-phenyl-3-pyridazin-4-yl-1,2-oxazol-5-amine is Nc1onc(-c2ccnnc2)c1-c1ccccc1.
What is the InChIKey of 4-phenyl-3-pyridazin-4-yl-1,2-oxazol-5-amine?
The InChIKey is XCGWPGIOPJBPNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10N4O/c14-13-11(9-4-2-1-3-5-9)12(17-18-13)10-6-7-15-16-8-10/h1-8H,14H2.
What are the key properties of 4-phenyl-3-pyridazin-4-yl-1,2-oxazol-5-amine?
4-phenyl-3-pyridazin-4-yl-1,2-oxazol-5-amine has a molecular weight of 238.25 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-pyridazin-4-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 113439303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).