2-phenyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,3,4-oxadiazole

C19H19N3O — CID 157019802

IUPAC2-phenyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(CN3CCCc4ccccc4C3)o2)cc1
InChIInChI=1S/C19H19N3O/c1-2-8-16(9-3-1)19-21-20-18(23-19)14-22-12-6-11-15-7-4-5-10-17(15)13-22/h1-5,7-10H,6,11-14H2
InChIKeyQCIUPJPIDBBCPY-UHFFFAOYSA-N
MW305.38 g/mol
LogP3.68
Rot. Bonds3

About 2-phenyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,3,4-oxadiazole

2-phenyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,3,4-oxadiazole (PubChem CID 157019802) has the molecular formula C19H19N3O and a molecular weight of 305.38 g/mol. Its IUPAC name is 2-phenyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,3,4-oxadiazole
PubChem CID157019802
Molecular FormulaC19H19N3O
Molecular Weight305.38 g/mol
Exact Mass305.15
IUPAC Name2-phenyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(CN3CCCc4ccccc4C3)o2)cc1
InChIInChI=1S/C19H19N3O/c1-2-8-16(9-3-1)19-21-20-18(23-19)14-22-12-6-11-15-7-4-5-10-17(15)13-22/h1-5,7-10H,6,11-14H2
InChIKeyQCIUPJPIDBBCPY-UHFFFAOYSA-N
XLogP3.68
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.38
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-phenyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-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-(3-chlorophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3,4-oxadiazole
CID 22432333
buta-1,2,3-triene;2-phenyl-5-(piperidin-1-ylmethyl)-1,3,4-oxadiazole;propa-1,2-diene;hydrochloride
CID 159019731
2-[[4-(2,3-dihydro-1-benzofuran-5-ylmethyl)piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 9126871
2-phenyl-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 46643022
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 78821599
2-[(4-benzylpiperazin-1-yl)methyl]-5-(4-methylphenyl)-1,3,4-oxadiazole
CID 7463593
4-methyl-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-ol
CID 103898404
2-(3,4-dihydro-2H-quinolin-1-ylmethyl)-5-(4-nitrophenyl)-1,3,4-oxadiazole
CID 31337841
2-(azepan-1-ylmethyl)-5-(3-bromophenyl)-1,3,4-oxadiazole;hydrochloride
CID 126460668
2-[[4-(1,3-benzothiazol-2-yl)-1,4-diazepan-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 134714056
(6S)-1-cyclopentyl-4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,4-diazepan-6-ol
CID 99973552
N-phenyl-2-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetamide
CID 31691706

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,3,4-oxadiazole (CID 157019802) is 2-phenyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,3,4-oxadiazole is c1ccc(-c2nnc(CN3CCCc4ccccc4C3)o2)cc1.
What is the InChIKey of 2-phenyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,3,4-oxadiazole?
The InChIKey is QCIUPJPIDBBCPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O/c1-2-8-16(9-3-1)19-21-20-18(23-19)14-22-12-6-11-15-7-4-5-10-17(15)13-22/h1-5,7-10H,6,11-14H2.
What are the key properties of 2-phenyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,3,4-oxadiazole?
2-phenyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,3,4-oxadiazole has a molecular weight of 305.38 g/mol, XLogP of 3.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-5-(1,3,4,5-tetrahydro-2-benzazepin-2-ylmethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 157019802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).