(E)-N-hydroxy-3-[2-[2-(3-methyl-5-phenyl-1,2-oxazol-4-yl)ethyl]-1,3,4,5-tetrahydro-2-benzazepin-7-yl]prop-2-enamide

C25H27N3O3 — CID 87490974

IUPAC(E)-N-hydroxy-3-[2-[2-(3-methyl-5-phenyl-1,2-oxazol-4-yl)ethyl]-1,3,4,5-tetrahydro-2-benzazepin-7-yl]prop-2-enamide
SMILESCc1noc(-c2ccccc2)c1CCN1CCCc2cc(/C=C/C(=O)NO)ccc2C1
InChIInChI=1S/C25H27N3O3/c1-18-23(25(31-27-18)20-6-3-2-4-7-20)13-15-28-14-5-8-21-16-19(9-11-22(21)17-28)10-12-24(29)26-30/h2-4,6-7,9-12,16,30H,5,8,13-15,17H2,1H3,(H,26,29)/b12-10+
InChIKeyQDJYVGPNAFQKDY-ZRDIBKRKSA-N
MW417.51 g/mol
LogP4.16
Rot. Bonds6

About (E)-N-hydroxy-3-[2-[2-(3-methyl-5-phenyl-1,2-oxazol-4-yl)ethyl]-1,3,4,5-tetrahydro-2-benzazepin-7-yl]prop-2-enamide

(E)-N-hydroxy-3-[2-[2-(3-methyl-5-phenyl-1,2-oxazol-4-yl)ethyl]-1,3,4,5-tetrahydro-2-benzazepin-7-yl]prop-2-enamide (PubChem CID 87490974) has the molecular formula C25H27N3O3 and a molecular weight of 417.51 g/mol. Its IUPAC name is (E)-N-hydroxy-3-[2-[2-(3-methyl-5-phenyl-1,2-oxazol-4-yl)ethyl]-1,3,4,5-tetrahydro-2-benzazepin-7-yl]prop-2-enamide.

Molecular Properties

Compound Name(E)-N-hydroxy-3-[2-[2-(3-methyl-5-phenyl-1,2-oxazol-4-yl)ethyl]-1,3,4,5-tetrahydro-2-benzazepin-7-yl]prop-2-enamide
PubChem CID87490974
Molecular FormulaC25H27N3O3
Molecular Weight417.51 g/mol
Exact Mass417.21
IUPAC Name(E)-N-hydroxy-3-[2-[2-(3-methyl-5-phenyl-1,2-oxazol-4-yl)ethyl]-1,3,4,5-tetrahydro-2-benzazepin-7-yl]prop-2-enamide
SMILESCc1noc(-c2ccccc2)c1CCN1CCCc2cc(/C=C/C(=O)NO)ccc2C1
InChIInChI=1S/C25H27N3O3/c1-18-23(25(31-27-18)20-6-3-2-4-7-20)13-15-28-14-5-8-21-16-19(9-11-22(21)17-28)10-12-24(29)26-30/h2-4,6-7,9-12,16,30H,5,8,13-15,17H2,1H3,(H,26,29)/b12-10+
InChIKeyQDJYVGPNAFQKDY-ZRDIBKRKSA-N
XLogP4.16
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze (E)-N-hydroxy-3-[2-[2-(3-methyl-5-phenyl-1,2-oxazol-4-yl)ethyl]-1,3,4,5-tetrahydro-2-benzazepin-7-yl]prop-2-enamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (E)-N-hydroxy-3-[2-[2-(3-methyl-5-phenyl-1,2-oxazol-4-yl)ethyl]-1,3,4,5-tetrahydro-2-benzazepin-7-yl]prop-2-enamide?
The IUPAC name of (E)-N-hydroxy-3-[2-[2-(3-methyl-5-phenyl-1,2-oxazol-4-yl)ethyl]-1,3,4,5-tetrahydro-2-benzazepin-7-yl]prop-2-enamide (CID 87490974) is (E)-N-hydroxy-3-[2-[2-(3-methyl-5-phenyl-1,2-oxazol-4-yl)ethyl]-1,3,4,5-tetrahydro-2-benzazepin-7-yl]prop-2-enamide.
What is the SMILES notation for (E)-N-hydroxy-3-[2-[2-(3-methyl-5-phenyl-1,2-oxazol-4-yl)ethyl]-1,3,4,5-tetrahydro-2-benzazepin-7-yl]prop-2-enamide?
The canonical SMILES for (E)-N-hydroxy-3-[2-[2-(3-methyl-5-phenyl-1,2-oxazol-4-yl)ethyl]-1,3,4,5-tetrahydro-2-benzazepin-7-yl]prop-2-enamide is Cc1noc(-c2ccccc2)c1CCN1CCCc2cc(/C=C/C(=O)NO)ccc2C1.
What is the InChIKey of (E)-N-hydroxy-3-[2-[2-(3-methyl-5-phenyl-1,2-oxazol-4-yl)ethyl]-1,3,4,5-tetrahydro-2-benzazepin-7-yl]prop-2-enamide?
The InChIKey is QDJYVGPNAFQKDY-ZRDIBKRKSA-N. The full InChI is InChI=1S/C25H27N3O3/c1-18-23(25(31-27-18)20-6-3-2-4-7-20)13-15-28-14-5-8-21-16-19(9-11-22(21)17-28)10-12-24(29)26-30/h2-4,6-7,9-12,16,30H,5,8,13-15,17H2,1H3,(H,26,29)/b12-10+.
What are the key properties of (E)-N-hydroxy-3-[2-[2-(3-methyl-5-phenyl-1,2-oxazol-4-yl)ethyl]-1,3,4,5-tetrahydro-2-benzazepin-7-yl]prop-2-enamide?
(E)-N-hydroxy-3-[2-[2-(3-methyl-5-phenyl-1,2-oxazol-4-yl)ethyl]-1,3,4,5-tetrahydro-2-benzazepin-7-yl]prop-2-enamide has a molecular weight of 417.51 g/mol, XLogP of 4.16, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-N-hydroxy-3-[2-[2-(3-methyl-5-phenyl-1,2-oxazol-4-yl)ethyl]-1,3,4,5-tetrahydro-2-benzazepin-7-yl]prop-2-enamide is sourced from PubChem (CID 87490974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).