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

C14H12N4O — CID 104670744

IUPAC4-(2-methylphenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine
SMILESCc1ccccc1-c1c(-c2ccnnc2)noc1N
InChIInChI=1S/C14H12N4O/c1-9-4-2-3-5-11(9)12-13(18-19-14(12)15)10-6-7-16-17-8-10/h2-8H,15H2,1H3
InChIKeyIOWJTBBGSNKAAW-UHFFFAOYSA-N
MW252.28 g/mol
LogP2.69
Rot. Bonds2

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

4-(2-methylphenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine (PubChem CID 104670744) has the molecular formula C14H12N4O and a molecular weight of 252.28 g/mol. Its IUPAC name is 4-(2-methylphenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2-methylphenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine
PubChem CID104670744
Molecular FormulaC14H12N4O
Molecular Weight252.28 g/mol
Exact Mass252.10
IUPAC Name4-(2-methylphenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine
SMILESCc1ccccc1-c1c(-c2ccnnc2)noc1N
InChIInChI=1S/C14H12N4O/c1-9-4-2-3-5-11(9)12-13(18-19-14(12)15)10-6-7-16-17-8-10/h2-8H,15H2,1H3
InChIKeyIOWJTBBGSNKAAW-UHFFFAOYSA-N
XLogP2.69
TPSA77.83 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.28
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-phenyl-3-pyridazin-4-yl-1,2-oxazol-5-amine
CID 113439303
3-(4-fluorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43157945
4-(2,4-difluorophenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine
CID 104670796
4-(2-methylphenyl)-3-(1H-pyrazol-5-yl)-1,2-oxazol-5-amine
CID 63080317
4-(4-fluorophenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine
CID 104670755
3-(2,6-dichlorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43335610
3-(2,4-dimethylphenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43335592
3-(3-bromo-4-chlorophenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 107988922
4-(3,4-dichlorophenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine
CID 104670785
3-(2-bromofuran-3-yl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 106854737
4-(4-fluorophenyl)-3-(2-methylphenyl)-1,2-oxazol-5-amine
CID 43335890
3-(2-fluoro-5-methylphenyl)-4-(2-methylphenyl)-1,2-oxazol-5-amine
CID 62514498

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine?
The IUPAC name of 4-(2-methylphenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine (CID 104670744) is 4-(2-methylphenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2-methylphenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2-methylphenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine is Cc1ccccc1-c1c(-c2ccnnc2)noc1N.
What is the InChIKey of 4-(2-methylphenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine?
The InChIKey is IOWJTBBGSNKAAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O/c1-9-4-2-3-5-11(9)12-13(18-19-14(12)15)10-6-7-16-17-8-10/h2-8H,15H2,1H3.
What are the key properties of 4-(2-methylphenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine?
4-(2-methylphenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine has a molecular weight of 252.28 g/mol, XLogP of 2.69, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenyl)-3-pyridazin-4-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 104670744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).