3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenol

C14H12N4O3 — CID 103375357

IUPAC3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
SMILESCOc1ccc(-c2noc(-c3cccc(O)c3C)n2)nn1
InChIInChI=1S/C14H12N4O3/c1-8-9(4-3-5-11(8)19)14-15-13(18-21-14)10-6-7-12(20-2)17-16-10/h3-7,19H,1-2H3
InChIKeyCBYHILABHCUDBL-UHFFFAOYSA-N
MW284.28 g/mol
LogP2.22
Rot. Bonds3

About 3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenol

3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenol (PubChem CID 103375357) has the molecular formula C14H12N4O3 and a molecular weight of 284.28 g/mol. Its IUPAC name is 3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenol.

Molecular Properties

Compound Name3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
PubChem CID103375357
Molecular FormulaC14H12N4O3
Molecular Weight284.28 g/mol
Exact Mass284.09
IUPAC Name3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
SMILESCOc1ccc(-c2noc(-c3cccc(O)c3C)n2)nn1
InChIInChI=1S/C14H12N4O3/c1-8-9(4-3-5-11(8)19)14-15-13(18-21-14)10-6-7-12(20-2)17-16-10/h3-7,19H,1-2H3
InChIKeyCBYHILABHCUDBL-UHFFFAOYSA-N
XLogP2.22
TPSA94.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.28
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813576
3-fluoro-2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 103372862
2-methyl-3-[3-(2H-triazol-4-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 82830916
2-methyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenol
CID 82830253
2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
CID 103372858
3-[3-(1-methoxypropyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 116733692
5-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 103372756
3-fluoro-4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 107795650
5-fluoro-2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 103372807
[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]hydrazine
CID 103375154
3-[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 82830184
5-ethyl-3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 103372920

Frequently Asked Questions

What is the IUPAC name of 3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenol?
The IUPAC name of 3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenol (CID 103375357) is 3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenol.
What is the SMILES notation for 3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenol?
The canonical SMILES for 3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenol is COc1ccc(-c2noc(-c3cccc(O)c3C)n2)nn1.
What is the InChIKey of 3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenol?
The InChIKey is CBYHILABHCUDBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O3/c1-8-9(4-3-5-11(8)19)14-15-13(18-21-14)10-6-7-12(20-2)17-16-10/h3-7,19H,1-2H3.
What are the key properties of 3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenol?
3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenol has a molecular weight of 284.28 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenol is sourced from PubChem (CID 103375357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).