2-(4-methoxyphenyl)-5-[(4-pyridazin-3-yl-1,4-diazepan-1-yl)methyl]-1,3,4-oxadiazole

C19H22N6O2 — CID 86894398

IUPAC2-(4-methoxyphenyl)-5-[(4-pyridazin-3-yl-1,4-diazepan-1-yl)methyl]-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(CN3CCCN(c4cccnn4)CC3)o2)cc1
InChIInChI=1S/C19H22N6O2/c1-26-16-7-5-15(6-8-16)19-23-22-18(27-19)14-24-10-3-11-25(13-12-24)17-4-2-9-20-21-17/h2,4-9H,3,10-14H2,1H3
InChIKeyZDKDPYMGMNRXDV-UHFFFAOYSA-N
MW366.43 g/mol
LogP2.25
Rot. Bonds5

About 2-(4-methoxyphenyl)-5-[(4-pyridazin-3-yl-1,4-diazepan-1-yl)methyl]-1,3,4-oxadiazole

2-(4-methoxyphenyl)-5-[(4-pyridazin-3-yl-1,4-diazepan-1-yl)methyl]-1,3,4-oxadiazole (PubChem CID 86894398) has the molecular formula C19H22N6O2 and a molecular weight of 366.43 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-5-[(4-pyridazin-3-yl-1,4-diazepan-1-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-5-[(4-pyridazin-3-yl-1,4-diazepan-1-yl)methyl]-1,3,4-oxadiazole
PubChem CID86894398
Molecular FormulaC19H22N6O2
Molecular Weight366.43 g/mol
Exact Mass366.18
IUPAC Name2-(4-methoxyphenyl)-5-[(4-pyridazin-3-yl-1,4-diazepan-1-yl)methyl]-1,3,4-oxadiazole
SMILESCOc1ccc(-c2nnc(CN3CCCN(c4cccnn4)CC3)o2)cc1
InChIInChI=1S/C19H22N6O2/c1-26-16-7-5-15(6-8-16)19-23-22-18(27-19)14-24-10-3-11-25(13-12-24)17-4-2-9-20-21-17/h2,4-9H,3,10-14H2,1H3
InChIKeyZDKDPYMGMNRXDV-UHFFFAOYSA-N
XLogP2.25
TPSA80.41 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.43
LogP ≤ 52.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 2-(4-methoxyphenyl)-5-[(4-pyridazin-3-yl-1,4-diazepan-1-yl)methyl]-1,3,4-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

2-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]phenol
CID 36839855
2-(4-methoxyphenyl)-5-(thiomorpholin-4-ylmethyl)-1,3,4-oxadiazole
CID 5146548
2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 4824709
2-[[4-(imidazo[1,2-a]pyridin-2-ylmethyl)piperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 134011384
2-(4-fluorophenyl)-5-[[4-(2-methoxyphenyl)piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 17391401
2-[4-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]piperazin-1-yl]-1-morpholin-4-ylethanone
CID 18271596
2-(4-methoxyphenyl)-5-methyl-4-[(4-pyrimidin-2-yl-1,4-diazepan-1-yl)methyl]-1,3-oxazole
CID 25449704
2-[[4-[(5-chloro-3-ethyl-1-methylpyrazol-4-yl)methyl]piperazin-1-yl]methyl]-5-(4-methoxyphenyl)-1,3,4-oxadiazole
CID 86895371
2-[[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 134714056
2-(4-nitrophenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 4969248
5-(4-methoxyphenyl)-2-[[4-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl]-1,4-diazepan-1-yl]methyl]-1,3-oxazole
CID 166197592
2-(4-methoxyphenyl)-5-piperidin-1-yl-1,3,4-oxadiazole
CID 135040543

Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxyphenyl)-5-[(4-pyridazin-3-yl-1,4-diazepan-1-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-methoxyphenyl)-5-[(4-pyridazin-3-yl-1,4-diazepan-1-yl)methyl]-1,3,4-oxadiazole (CID 86894398) is 2-(4-methoxyphenyl)-5-[(4-pyridazin-3-yl-1,4-diazepan-1-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-5-[(4-pyridazin-3-yl-1,4-diazepan-1-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-methoxyphenyl)-5-[(4-pyridazin-3-yl-1,4-diazepan-1-yl)methyl]-1,3,4-oxadiazole is COc1ccc(-c2nnc(CN3CCCN(c4cccnn4)CC3)o2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-5-[(4-pyridazin-3-yl-1,4-diazepan-1-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is ZDKDPYMGMNRXDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O2/c1-26-16-7-5-15(6-8-16)19-23-22-18(27-19)14-24-10-3-11-25(13-12-24)17-4-2-9-20-21-17/h2,4-9H,3,10-14H2,1H3.
What are the key properties of 2-(4-methoxyphenyl)-5-[(4-pyridazin-3-yl-1,4-diazepan-1-yl)methyl]-1,3,4-oxadiazole?
2-(4-methoxyphenyl)-5-[(4-pyridazin-3-yl-1,4-diazepan-1-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 366.43 g/mol, XLogP of 2.25, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-5-[(4-pyridazin-3-yl-1,4-diazepan-1-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 86894398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).