3-pyridazin-3-yl-5-(2,5,7-trimethylquinolin-4-yl)-1,2,4-oxadiazole

C18H15N5O — CID 70724719

IUPAC3-pyridazin-3-yl-5-(2,5,7-trimethylquinolin-4-yl)-1,2,4-oxadiazole
SMILESCc1cc(C)c2c(-c3nc(-c4cccnn4)no3)cc(C)nc2c1
InChIInChI=1S/C18H15N5O/c1-10-7-11(2)16-13(9-12(3)20-15(16)8-10)18-21-17(23-24-18)14-5-4-6-19-22-14/h4-9H,1-3H3
InChIKeyVQPQEFRWFLCKEK-UHFFFAOYSA-N
MW317.35 g/mol
LogP3.67
Rot. Bonds2

About 3-pyridazin-3-yl-5-(2,5,7-trimethylquinolin-4-yl)-1,2,4-oxadiazole

3-pyridazin-3-yl-5-(2,5,7-trimethylquinolin-4-yl)-1,2,4-oxadiazole (PubChem CID 70724719) has the molecular formula C18H15N5O and a molecular weight of 317.35 g/mol. Its IUPAC name is 3-pyridazin-3-yl-5-(2,5,7-trimethylquinolin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-pyridazin-3-yl-5-(2,5,7-trimethylquinolin-4-yl)-1,2,4-oxadiazole
PubChem CID70724719
Molecular FormulaC18H15N5O
Molecular Weight317.35 g/mol
Exact Mass317.13
IUPAC Name3-pyridazin-3-yl-5-(2,5,7-trimethylquinolin-4-yl)-1,2,4-oxadiazole
SMILESCc1cc(C)c2c(-c3nc(-c4cccnn4)no3)cc(C)nc2c1
InChIInChI=1S/C18H15N5O/c1-10-7-11(2)16-13(9-12(3)20-15(16)8-10)18-21-17(23-24-18)14-5-4-6-19-22-14/h4-9H,1-3H3
InChIKeyVQPQEFRWFLCKEK-UHFFFAOYSA-N
XLogP3.67
TPSA77.59 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.35
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-pyridazin-3-yl-5-(2,5,7-trimethylquinolin-4-yl)-1,2,4-oxadiazole 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

5-(2-methyl-4-phenylpyrimidin-5-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole
CID 72925505
3-(2,4,6-trimethylphenyl)pyridazine
CID 67379258
5-(5-methylimidazo[1,2-a]pyridin-2-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole
CID 70754605
5-(2-propan-2-ylpyrimidin-5-yl)-3-pyridazin-3-yl-1,2,4-oxadiazole
CID 72911845
5-[(1S)-2-methyl-3-phenylcycloprop-2-en-1-yl]-3-pyridazin-3-yl-1,2,4-oxadiazole
CID 97117552
5-[(1S)-1-naphthalen-2-yloxyethyl]-3-pyridazin-3-yl-1,2,4-oxadiazole
CID 97122445
3-(2-ethoxy-3-pyridinyl)-5-(2-methylquinolin-4-yl)-1,2,4-oxadiazole
CID 166213550
4-bromo-2-[3-(6-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]phenol
CID 136701048
5-[(1S)-1-(3-chlorophenoxy)ethyl]-3-pyridazin-3-yl-1,2,4-oxadiazole
CID 96571111
5-(3-bromo-5-methylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 142165311
4-methyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)benzonitrile
CID 59047177
3-methyl-4-[3-(4-methyl-2-pyridinyl)-1,2,4-oxadiazol-5-yl]aniline
CID 63841342

Frequently Asked Questions

What is the IUPAC name of 3-pyridazin-3-yl-5-(2,5,7-trimethylquinolin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-pyridazin-3-yl-5-(2,5,7-trimethylquinolin-4-yl)-1,2,4-oxadiazole (CID 70724719) is 3-pyridazin-3-yl-5-(2,5,7-trimethylquinolin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-pyridazin-3-yl-5-(2,5,7-trimethylquinolin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-pyridazin-3-yl-5-(2,5,7-trimethylquinolin-4-yl)-1,2,4-oxadiazole is Cc1cc(C)c2c(-c3nc(-c4cccnn4)no3)cc(C)nc2c1.
What is the InChIKey of 3-pyridazin-3-yl-5-(2,5,7-trimethylquinolin-4-yl)-1,2,4-oxadiazole?
The InChIKey is VQPQEFRWFLCKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N5O/c1-10-7-11(2)16-13(9-12(3)20-15(16)8-10)18-21-17(23-24-18)14-5-4-6-19-22-14/h4-9H,1-3H3.
What are the key properties of 3-pyridazin-3-yl-5-(2,5,7-trimethylquinolin-4-yl)-1,2,4-oxadiazole?
3-pyridazin-3-yl-5-(2,5,7-trimethylquinolin-4-yl)-1,2,4-oxadiazole has a molecular weight of 317.35 g/mol, XLogP of 3.67, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-pyridazin-3-yl-5-(2,5,7-trimethylquinolin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 70724719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).