2-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-5-methyl-1,3,4-oxadiazole

C22H24N4O2 — CID 10045080

IUPAC2-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2ccc(Oc3ccc4c(c3)CCN(C3CCC3)CC4)nc2)o1
InChIInChI=1S/C22H24N4O2/c1-15-24-25-22(27-15)18-6-8-21(23-14-18)28-20-7-5-16-9-11-26(19-3-2-4-19)12-10-17(16)13-20/h5-8,13-14,19H,2-4,9-12H2,1H3
InChIKeyFAIJKKWPAFUWJG-UHFFFAOYSA-N
MW376.46 g/mol
LogP4.19
Rot. Bonds4

About 2-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-5-methyl-1,3,4-oxadiazole

2-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-5-methyl-1,3,4-oxadiazole (PubChem CID 10045080) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is 2-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-5-methyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-5-methyl-1,3,4-oxadiazole
PubChem CID10045080
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name2-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-5-methyl-1,3,4-oxadiazole
SMILESCc1nnc(-c2ccc(Oc3ccc4c(c3)CCN(C3CCC3)CC4)nc2)o1
InChIInChI=1S/C22H24N4O2/c1-15-24-25-22(27-15)18-6-8-21(23-14-18)28-20-7-5-16-9-11-26(19-3-2-4-19)12-10-17(16)13-20/h5-8,13-14,19H,2-4,9-12H2,1H3
InChIKeyFAIJKKWPAFUWJG-UHFFFAOYSA-N
XLogP4.19
TPSA64.28 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 54.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-5-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

Gsk-189254
CID 9798547
6-(2-Phenethylisoindolin-5-yloxy)nicotinamide
CID 44434061
3-Cyclobutyl-7-{[5-(3,5-dimethyl-4-isoxazolyl)-2-pyridinyl]oxy}-2,3,4,5-tetrahydro-1H-3-benzazepine
CID 9977652
6-[(3-Cyclopentyl-2,3,4,5-tetrahydro-1H-3-benzazepin-7-yl)oxy]-N-methyl-3-pyridinecarboxamide
CID 10428924
6-[(3-Cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]pyridine-3-carboxamide
CID 57755473
6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-propan-2-ylpyridine-3-carboxamide
CID 68504544
6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-N-ethyl-N-methylpyridine-3-carboxamide
CID 68507598
[6-[(3-Cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-pyrrolidin-1-ylmethanone
CID 69094686
6-(2-Benzylisoindolin-5-yloxy)nicotinamide
CID 44434060
3-[5-(3,4-Dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]pyridine
CID 750773
6-(2-phenethyl-2,3,4,5-tetrahydro-1H-benzo[c]azepin-7-yloxy)nicotinamide
CID 44434067
6-(3-benzyl-2,3,4,5-tetrahydro-1H-benzo[d]azepin-7-yloxy)nicotinamide
CID 44434068

Frequently Asked Questions

What is the IUPAC name of 2-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-5-methyl-1,3,4-oxadiazole?
The IUPAC name of 2-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-5-methyl-1,3,4-oxadiazole (CID 10045080) is 2-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-5-methyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-5-methyl-1,3,4-oxadiazole?
The canonical SMILES for 2-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-5-methyl-1,3,4-oxadiazole is Cc1nnc(-c2ccc(Oc3ccc4c(c3)CCN(C3CCC3)CC4)nc2)o1.
What is the InChIKey of 2-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-5-methyl-1,3,4-oxadiazole?
The InChIKey is FAIJKKWPAFUWJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O2/c1-15-24-25-22(27-15)18-6-8-21(23-14-18)28-20-7-5-16-9-11-26(19-3-2-4-19)12-10-17(16)13-20/h5-8,13-14,19H,2-4,9-12H2,1H3.
What are the key properties of 2-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-5-methyl-1,3,4-oxadiazole?
2-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-5-methyl-1,3,4-oxadiazole has a molecular weight of 376.46 g/mol, XLogP of 4.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[(3-cyclobutyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)oxy]-3-pyridinyl]-5-methyl-1,3,4-oxadiazole is sourced from PubChem (CID 10045080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).