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

C14H10N4O3 — CID 104670770

IUPAC4-(1,3-benzodioxol-5-yl)-3-pyridazin-4-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccnnc2)c1-c1ccc2c(c1)OCO2
InChIInChI=1S/C14H10N4O3/c15-14-12(8-1-2-10-11(5-8)20-7-19-10)13(18-21-14)9-3-4-16-17-6-9/h1-6H,7,15H2
InChIKeyIHADSLFUKWCFSX-UHFFFAOYSA-N
MW282.26 g/mol
LogP2.11
Rot. Bonds2

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

4-(1,3-benzodioxol-5-yl)-3-pyridazin-4-yl-1,2-oxazol-5-amine (PubChem CID 104670770) has the molecular formula C14H10N4O3 and a molecular weight of 282.26 g/mol. Its IUPAC name is 4-(1,3-benzodioxol-5-yl)-3-pyridazin-4-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(1,3-benzodioxol-5-yl)-3-pyridazin-4-yl-1,2-oxazol-5-amine
PubChem CID104670770
Molecular FormulaC14H10N4O3
Molecular Weight282.26 g/mol
Exact Mass282.08
IUPAC Name4-(1,3-benzodioxol-5-yl)-3-pyridazin-4-yl-1,2-oxazol-5-amine
SMILESNc1onc(-c2ccnnc2)c1-c1ccc2c(c1)OCO2
InChIInChI=1S/C14H10N4O3/c15-14-12(8-1-2-10-11(5-8)20-7-19-10)13(18-21-14)9-3-4-16-17-6-9/h1-6H,7,15H2
InChIKeyIHADSLFUKWCFSX-UHFFFAOYSA-N
XLogP2.11
TPSA96.29 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.26
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

4-(1,3-benzodioxol-5-yl)-3-pyridin-3-yl-1,2-oxazol-5-amine
CID 43336149
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-(1,3-benzodioxol-5-yl)-3-(3-chlorothiophen-2-yl)-1,2-oxazol-5-amine
CID 80645078
4-(2,4-difluorophenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine
CID 104670796
4-(2-methylphenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine
CID 104670744
4-(1,3-benzodioxol-5-yl)-3-hexyl-1,2-oxazol-5-amine
CID 114753024
4-(1,3-benzodioxol-5-yl)pyridin-2-amine
CID 50951571
3-cyclopropyl-4-(2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-amine
CID 43336233
5-(1,3-benzodioxol-5-yl)pyrimidin-2-amine
CID 122200432
5-(1,3-benzodioxol-5-yl)-1,2,4-oxadiazol-3-amine
CID 63692453
5-[[2-amino-4-(1,3-benzodioxol-5-yl)-1,3-thiazol-5-yl]sulfanyl]-4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-amine
CID 122372421

Frequently Asked Questions

What is the IUPAC name of 4-(1,3-benzodioxol-5-yl)-3-pyridazin-4-yl-1,2-oxazol-5-amine?
The IUPAC name of 4-(1,3-benzodioxol-5-yl)-3-pyridazin-4-yl-1,2-oxazol-5-amine (CID 104670770) is 4-(1,3-benzodioxol-5-yl)-3-pyridazin-4-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(1,3-benzodioxol-5-yl)-3-pyridazin-4-yl-1,2-oxazol-5-amine?
The canonical SMILES for 4-(1,3-benzodioxol-5-yl)-3-pyridazin-4-yl-1,2-oxazol-5-amine is Nc1onc(-c2ccnnc2)c1-c1ccc2c(c1)OCO2.
What is the InChIKey of 4-(1,3-benzodioxol-5-yl)-3-pyridazin-4-yl-1,2-oxazol-5-amine?
The InChIKey is IHADSLFUKWCFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4O3/c15-14-12(8-1-2-10-11(5-8)20-7-19-10)13(18-21-14)9-3-4-16-17-6-9/h1-6H,7,15H2.
What are the key properties of 4-(1,3-benzodioxol-5-yl)-3-pyridazin-4-yl-1,2-oxazol-5-amine?
4-(1,3-benzodioxol-5-yl)-3-pyridazin-4-yl-1,2-oxazol-5-amine has a molecular weight of 282.26 g/mol, XLogP of 2.11, 2 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzodioxol-5-yl)-3-pyridazin-4-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 104670770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).