4-(4-chlorophenyl)-5-(3,6-dimethylpyridazin-4-yl)-1,2-oxazol-3-amine

C15H13ClN4O — CID 104673131

IUPAC4-(4-chlorophenyl)-5-(3,6-dimethylpyridazin-4-yl)-1,2-oxazol-3-amine
SMILESCc1cc(-c2onc(N)c2-c2ccc(Cl)cc2)c(C)nn1
InChIInChI=1S/C15H13ClN4O/c1-8-7-12(9(2)19-18-8)14-13(15(17)20-21-14)10-3-5-11(16)6-4-10/h3-7H,1-2H3,(H2,17,20)
InChIKeyGBRPZSFETOYLOY-UHFFFAOYSA-N
MW300.75 g/mol
LogP3.65
Rot. Bonds2

About 4-(4-chlorophenyl)-5-(3,6-dimethylpyridazin-4-yl)-1,2-oxazol-3-amine

4-(4-chlorophenyl)-5-(3,6-dimethylpyridazin-4-yl)-1,2-oxazol-3-amine (PubChem CID 104673131) has the molecular formula C15H13ClN4O and a molecular weight of 300.75 g/mol. Its IUPAC name is 4-(4-chlorophenyl)-5-(3,6-dimethylpyridazin-4-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-(4-chlorophenyl)-5-(3,6-dimethylpyridazin-4-yl)-1,2-oxazol-3-amine
PubChem CID104673131
Molecular FormulaC15H13ClN4O
Molecular Weight300.75 g/mol
Exact Mass300.08
IUPAC Name4-(4-chlorophenyl)-5-(3,6-dimethylpyridazin-4-yl)-1,2-oxazol-3-amine
SMILESCc1cc(-c2onc(N)c2-c2ccc(Cl)cc2)c(C)nn1
InChIInChI=1S/C15H13ClN4O/c1-8-7-12(9(2)19-18-8)14-13(15(17)20-21-14)10-3-5-11(16)6-4-10/h3-7H,1-2H3,(H2,17,20)
InChIKeyGBRPZSFETOYLOY-UHFFFAOYSA-N
XLogP3.65
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.75
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(4-chlorophenyl)-5-(3,6-dimethylpyridazin-4-yl)-1,2-oxazol-3-amine?
The IUPAC name of 4-(4-chlorophenyl)-5-(3,6-dimethylpyridazin-4-yl)-1,2-oxazol-3-amine (CID 104673131) is 4-(4-chlorophenyl)-5-(3,6-dimethylpyridazin-4-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-(4-chlorophenyl)-5-(3,6-dimethylpyridazin-4-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-(4-chlorophenyl)-5-(3,6-dimethylpyridazin-4-yl)-1,2-oxazol-3-amine is Cc1cc(-c2onc(N)c2-c2ccc(Cl)cc2)c(C)nn1.
What is the InChIKey of 4-(4-chlorophenyl)-5-(3,6-dimethylpyridazin-4-yl)-1,2-oxazol-3-amine?
The InChIKey is GBRPZSFETOYLOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClN4O/c1-8-7-12(9(2)19-18-8)14-13(15(17)20-21-14)10-3-5-11(16)6-4-10/h3-7H,1-2H3,(H2,17,20).
What are the key properties of 4-(4-chlorophenyl)-5-(3,6-dimethylpyridazin-4-yl)-1,2-oxazol-3-amine?
4-(4-chlorophenyl)-5-(3,6-dimethylpyridazin-4-yl)-1,2-oxazol-3-amine has a molecular weight of 300.75 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chlorophenyl)-5-(3,6-dimethylpyridazin-4-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 104673131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).